4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid
4-(3-formyl-2,5-dimethylpyrrol-1-yl)-3-methylbenzoic acid
Also Known As: methylbenzoic acid|4-(3-Formyl-2|4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid|4-(3-Formyl-2,5-dimethyl-pyrrol-1-yl)-3-methyl-benzoic acid|Oprea1_544571|Oprea1_582867|SP552|BAS 02882177|4-(3-formyl-2,5-dimethylpyrrol-1-yl)-3-methylbenzoic acid|Z-2207|4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-|4-(3-formyl-2,5-dimethylpyrrolyl)-3-methylbenzoic acid|4-(3-Formyl-2,5-dimethyl-1-pyrrolyl)-3-methylbenzoic Acid|4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoicacid|4-(3-Formyl-2,5-dimethyl-pyrrol-1-yl)-3-methyl-benzoicacid|4-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)-3-methyl-benzoic acid
| Molecular Formula | C15H15NO3 |
|---|---|
| Molecular Weight | 257.1052 g/mol |
| LogP | 2.91326 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.1052 |
| Monoisotopic Mass | 257.1052 |
| Heavy Atoms | 19 |
| Complexity | 668.2705 |
Chemical Identifiers
| CAS Number | 409353-44-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)O)C)C)C=O |
Product Overview
4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid (CAS 409353-44-2), with molecular formula C15H15NO3 and molecular weight 257.1052 g/mol. IUPAC: 4-(3-formyl-2,5-dimethylpyrrol-1-yl)-3-methylbenzoic acid.