8-Caffeineacetic acid
Modify Date: 2025-08-25 08:43:12
8-Caffeineacetic acid structure
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Common Name | 8-Caffeineacetic acid | ||
|---|---|---|---|---|
| CAS Number | 5614-58-4 | Molecular Weight | 252.22700 | |
| Density | 1.57g/cm3 | Boiling Point | 540.4ºC at 760 mmHg | |
| Molecular Formula | C10H12N4O4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 280.6ºC | |
| Name | 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)acetic acid |
|---|---|
| Synonym | More Synonyms |
| Density | 1.57g/cm3 |
|---|---|
| Boiling Point | 540.4ºC at 760 mmHg |
| Molecular Formula | C10H12N4O4 |
| Molecular Weight | 252.22700 |
| Flash Point | 280.6ºC |
| Exact Mass | 252.08600 |
| PSA | 99.12000 |
| Index of Refraction | 1.69 |
| InChIKey | CTQOMMSPHMBJHE-UHFFFAOYSA-N |
| SMILES | Cn1c(=O)c2c(nc(CC(=O)O)n2C)n(C)c1=O |
|
~%
8-Caffeineaceti... CAS#:5614-58-4 |
| Literature: Golowtschinskaja Sb. Statei Obshch. Khim., 1953 , p. 702,708, 709 Chem.Abstr., 1955 , p. 1070 |
|
~%
8-Caffeineaceti... CAS#:5614-58-4 |
| Literature: Golowtschinskaja Sb. Statei Obshch. Khim., 1953 , p. 702,708, 709 Chem.Abstr., 1955 , p. 1070 |
| Precursor 2 | |
|---|---|
| DownStream 0 | |
| 8-Caffeineacetic acid |