3-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-methylbenzoic acid
3-(2,5-dimethylpyrrol-1-yl)-2-methylbenzoic acid
Also Known As: 3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoic acid|CBMicro_001112|Oprea1_171354|2-methyl-3-pyrrolylbenzoic acid|3-(2,5-dimethylpyrrol-1-yl)-2-methylbenzoic acid|BIM-0001236.P001|BB 0217840|3-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-methyl-benzoic acid|3-(2,5-dimethylpyrrolyl)-2-methylbenzoic acid|W-9064|3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoicacid|AM-879/13508179|3-(2,5-dimethylpyrrol-1-yl)-2-methyl-benzoic acid|SR-01000430208-1|801-094-3
| Molecular Formula | C14H15NO2 |
|---|---|
| Molecular Weight | 229.11028 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.11028 |
| Monoisotopic Mass | 229.11028 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 5953-82-2 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC=CC(=C2C)C(=O)O)C |
| InChIKey | KUCNTTWMSZKVRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-methylbenzoic acid (CAS 5953-82-2), with molecular formula C14H15NO2 and molecular weight 229.11028 g/mol. IUPAC: 3-(2,5-dimethylpyrrol-1-yl)-2-methylbenzoic acid.