3-(3-Fluoro-4-methoxyphenyl)propanoic acid
3-(3-Fluoro-4-methoxyphenyl)propanoic acid structure
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Common Name | 3-(3-Fluoro-4-methoxyphenyl)propanoic acid | ||
|---|---|---|---|---|
| CAS Number | 69888-90-0 | Molecular Weight | 198.191 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 321.5±27.0 °C at 760 mmHg | |
| Molecular Formula | C10H11FO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 148.2±23.7 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(3-Fluoro-4-methoxyphenyl)propanoic acid |
|---|---|
| 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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 321.5±27.0 °C at 760 mmHg |
| Molecular Formula | C10H11FO3 |
| Molecular Weight | 198.191 |
| Flash Point | 148.2±23.7 °C |
| Exact Mass | 198.069229 |
| PSA | 46.53000 |
| LogP | 1.76 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.514 |
| InChIKey | KBFWVRMLCVYIRL-UHFFFAOYSA-N |
| SMILES | COc1ccc(CCC(=O)O)cc1F |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~66%
3-(3-Fluoro-4-m... CAS#:69888-90-0 |
| Literature: Takeda Chemical Industries, Ltd. Patent: US6034239 A1, 2000 ; US 6034239 A |
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~%
3-(3-Fluoro-4-m... CAS#:69888-90-0 |
| Literature: DAINIPPON SUMITOMO PHARMA CO., LTD. Patent: US2012/225876 A1, 2012 ; Location in patent: Page/Page column 58-59 ; |
|
~64%
3-(3-Fluoro-4-m... CAS#:69888-90-0 |
| Literature: Takeda Chemical Industries, Ltd. Patent: EP1199304 A1, 2002 ; Location in patent: Referential example 8 ; EP 1199304 A1 |
|
~%
3-(3-Fluoro-4-m... CAS#:69888-90-0 |
| Literature: Becton, Dickinson and Company Patent: US4120867 A1, 1978 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 4 | |
CAS#:187872-11-3
CAS#:83802-71-5
CAS#:69888-91-1
CAS#:917885-01-9This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-(3-Fluoro-4-methoxyphenyl)propanoic acid |
| 3-Fluoro-4-methoxy-benzenepropanoic acid |
| EINECS 274-186-9 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 3-(3-Fluoro-4-methoxyphenyl)propanoic acid? |
| A: The English name of 3-(3-Fluoro-4-methoxyphenyl)propanoic acid is 3-(3-Fluoro-4-methoxyphenyl)propanoic acid. |
| Q: What is the SMILES notation of 3-(3-Fluoro-4-methoxyphenyl)propanoic acid? |
| A: SMILES notation of 3-(3-Fluoro-4-methoxyphenyl)propanoic acid is COc1ccc(CCC(=O)O)cc1F. |
| Q: What is the CAS number of 3-(3-Fluoro-4-methoxyphenyl)propanoic acid? |
| A: CAS number of 3-(3-Fluoro-4-methoxyphenyl)propanoic acid is 69888-90-0. |
| Q: What is the LogP of 3-(3-Fluoro-4-methoxyphenyl)propanoic acid? |
| A: LogP of 3-(3-Fluoro-4-methoxyphenyl)propanoic acid is 1.76. |
| Q: What are the downstream products of 3-(3-Fluoro-4-methoxyphenyl)propanoic acid? |
| A: Related downstream products(CAS) of 3-(3-Fluoro-4-methoxyphenyl)propanoic acid: 187872-11-3;83802-71-5;69888-91-1;917885-01-9. |
| Q: What is the InChIKey of 3-(3-Fluoro-4-methoxyphenyl)propanoic acid? |
| A: InChIKey of 3-(3-Fluoro-4-methoxyphenyl)propanoic acid is KBFWVRMLCVYIRL-UHFFFAOYSA-N. |
| Q: What English synonyms does 3-(3-Fluoro-4-methoxyphenyl)propanoic acid have? |
| A: English synonyms of 3-(3-Fluoro-4-methoxyphenyl)propanoic acid: 3-(3-Fluoro-4-methoxyphenyl)propanoic acid, 3-Fluoro-4-methoxy-benzenepropanoic acid, EINECS 274-186-9. |
| Q: What is the polar surface area (PSA) of 3-(3-Fluoro-4-methoxyphenyl)propanoic acid? |
| A: Polar surface area (PSA) of 3-(3-Fluoro-4-methoxyphenyl)propanoic acid is 46.53000. |
| Q: What is the molecular formula of 3-(3-Fluoro-4-methoxyphenyl)propanoic acid? |
| A: Molecular formula of 3-(3-Fluoro-4-methoxyphenyl)propanoic acid is C10H11FO3. |
| Q: What are the upstream materials of 3-(3-Fluoro-4-methoxyphenyl)propanoic acid? |
| A: Related upstream materials(CAS) of 3-(3-Fluoro-4-methoxyphenyl)propanoic acid: 110-89-4;351-54-2;2033-24-1;141-82-2;713-85-9. |
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. |