Benzeneacetic acid,4,5-dimethoxy-2-nitro-, methyl ester
Benzeneacetic acid,4,5-dimethoxy-2-nitro-, methyl ester structure
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Common Name | Benzeneacetic acid,4,5-dimethoxy-2-nitro-, methyl ester | ||
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| CAS Number | 2982-53-8 | Molecular Weight | 255.22400 | |
| Density | 1.262g/cm3 | Boiling Point | 377.4ºC at 760mmHg | |
| Molecular Formula | C11H13NO6 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 165.1ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.262g/cm3 |
|---|---|
| Boiling Point | 377.4ºC at 760mmHg |
| Molecular Formula | C11H13NO6 |
| Molecular Weight | 255.22400 |
| Flash Point | 165.1ºC |
| Exact Mass | 255.07400 |
| PSA | 90.58000 |
| LogP | 1.85070 |
| Vapour Pressure | 6.76E-06mmHg at 25°C |
| Index of Refraction | 1.526 |
| InChIKey | YBOOBLNSFSZGGE-UHFFFAOYSA-N |
| SMILES | COC(=O)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~%
Benzeneacetic a... CAS#:2982-53-8 |
| Literature: CandC Research Labs. Patent: US6057358 A1, 2000 ; |
|
~62%
Benzeneacetic a... CAS#:2982-53-8 |
| Literature: Kim, Dong-Ick; Kim, Hak-Yeop; Kwon, Lae-Sung; Park, Sung-Dae; Jeon, Gee-Ho; Jung, Kyung-Yun; Min, Jae-Ki; Nam, Woong-Hyun; Lee, Kiho; Chung, You-Sup; Tanabe, Shigeru; Kozono, Toshiro Bioorganic and Medicinal Chemistry Letters, 1999 , vol. 9, # 1 p. 85 - 90 |
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~58%
Benzeneacetic a... CAS#:2982-53-8 |
| Literature: DiMagno, Theodore J.; Stowell, Michael H. B.; Chan, Sunney I. Journal of Physical Chemistry, 1995 , vol. 99, # 34 p. 13038 - 13047 |
|
~%
Benzeneacetic a... CAS#:2982-53-8 |
| Literature: Kim, Dong-Ick; Kim, Hak-Yeop; Kwon, Lae-Sung; Park, Sung-Dae; Jeon, Gee-Ho; Jung, Kyung-Yun; Min, Jae-Ki; Nam, Woong-Hyun; Lee, Kiho; Chung, You-Sup; Tanabe, Shigeru; Kozono, Toshiro Bioorganic and Medicinal Chemistry Letters, 1999 , vol. 9, # 1 p. 85 - 90 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
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| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
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Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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Name: The chemical genetic matrix (CGM) dataset as reported in Wildenhain et al. (2015) Pre...
Source: 11924
Target: N/A
External Id: CGM data for Cell Systems paper Dec 2015
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Methyl 6-Nitro-homoveratrat |
| 6-Nitro-homoveratrumsaeure-methylester |
| <2-Nitro-4,5-dimethoxy-phenyl>-essigsaeure-methylester |
| HMS548L14 |
| methyl 2-nitro-4,5-dimethoxyphenylacetate |
| methyl-4,5-dimethoxy-2-nitrophenylacetate |
| <6-Nitro-3,4-dimethoxy-phenyl>-essigsaeure-methylester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate? |
| A: SMILES notation of methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate is COC(=O)Cc1cc(OC)c(OC)cc1[N+](=O)[O-]. |
| Q: What is the LogP of methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate? |
| A: LogP of methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate is 1.85070. |
| Q: What is the polar surface area (PSA) of methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate? |
| A: Polar surface area (PSA) of methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate is 90.58000. |
| Q: What English synonyms does methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate have? |
| A: English synonyms of methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate: Methyl 6-Nitro-homoveratrat, 6-Nitro-homoveratrumsaeure-methylester, -essigsaeure-methylester, HMS548L14, methyl 2-nitro-4,5-dimethoxyphenylacetate, methyl-4,5-dimethoxy-2-nitrophenylacetate, -essigsaeure-methylester. |
| Q: What is the English name of methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate? |
| A: The English name of methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate is methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate. |
| Q: What is the CAS number of methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate? |
| A: CAS number of methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate is 2982-53-8. |
| Q: What is the molecular formula of methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate? |
| A: Molecular formula of methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate is C11H13NO6. |
| Q: What is the molecular weight of methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate? |
| A: Molecular weight of methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate is 255.22400. |
| Q: What are the upstream materials of methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate? |
| A: Related upstream materials(CAS) of methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate: 73357-23-0;15964-79-1;67-56-1;73357-18-3;93-40-3. |
| Q: What is the boiling point of methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate? |
| A: Boiling point of methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate is 377.4ºC at 760mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |