4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid
4-(2-methoxy-5-methylphenyl)-4-oxobutanoic acid
Also Known As: 4-(2-methoxy-5-methylphenyl)-4-oxobutanoic acid|4-(2-Methoxy-5-methyl-phenyl)-4-oxo-butyric acid|CBMicro_006356|Oprea1_522932|Oprea1_580790|4- -4-OXO-BUTYRICACID|5458AE|4-(2-methoxy-5-methylphenyl)-4-oxo-butyric acid|Benzenebutanoic acid,2-methoxy-5-methyl-g-oxo-|4-(2-methoxy-5-methylphenyl)-4-oxobutyric acid|BAS 00406004|BIM-0006327.P001|4-(2-methoxy-5-methylphenyl)-4-oxobutanoicacid|5-CHLORO-6-PIPERAZIN-1-YL-NICOTINICACID|AG-205/08994033|4-(2-methoxy-5-methyl-phenyl)-4-oxo-butanoic acid|SR-01000513004-1|4-Keto-gamma-(2-methoxy-5-methylphenyl)-butyric acid|4-Keto-gamma-(2-methoxy-5-methylphenyl)butyric acid
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.0892 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Monoisotopic Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 55007-22-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)O |
| InChIKey | DAVYMGMWMJJLHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Methoxy-5-methylphenyl)-4-oxobutanoic acid (CAS 55007-22-2), with molecular formula C12H14O4 and molecular weight 222.0892 g/mol. IUPAC: 4-(2-methoxy-5-methylphenyl)-4-oxobutanoic acid.