| Weight | 139.154 g/mol |
|---|---|
| Formula | C7H9NO2 |
| Hydrogen Acceptors | 1 |
| Hydrogen Donors | 2 |
| Aromatic Rings | 1 |
| Rotatable Bonds | 1 |
3,5-dimethyl-1H-pyrrole-2-carboxylic acid (4513-93-3)
4513-93-3
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- Discovery of 5-[5-fluoro-2-oxo-1,2- dihydroindol-(3Z)-ylidenemethyl]-2,4- dimethyl-1H-pyrrole-3-carboxylic acid (2-diethylaminoethyl)amide, a novel tyrosine kinase inhibitor targeting vascular endothelial and platelet-derived growth factor receptor tyrosine kinase. (Journal of Medicinal Chemistry, 2003)
- Experimental and calculated structural parameters of 4-(2-methoxycarbonyl-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester (Journal of Molecular Structure, 2006)
- Synthesis of 2,4-Dimethyl-5-formyl-1H-pyrrole-3-carboxylic Acid (Chinese Journal of Pharmaceuticals, 2007)
- Study on Synthesis of 2,4-Dimethyl-5-formyl-1H-pyrrole-3-carboxylic Acid (Fine Chemical Intermediates, 2009)
-
Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - 4513-93-3
-
SMILESCC1=CC(=C(N1)C(=O)O)C
-
InChIKeyXQGVQRPSTODODM-UHFFFAOYSA-N
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Safety
Alternate Names
Estimated Properties
| Boiling Point | 271.16 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 298.36 C | EPI Suite |
| Density | 1.24 g/cm3 | EPA T.E.S.T. |
| Flash Point | 163.97 C | EPA T.E.S.T. |
| Melting Point | 90.97 C | EPI Suite |
| Water Solubility | 1678.04 mg/L | EPA T.E.S.T. |
| Water Solubility | 2386.4 mg/L | EPI Suite |
External Links
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