4-(2,4-Dimethylanilino)-4-oxobut-2-enoic acid
4-(2,4-dimethylanilino)-4-oxobut-2-enoic acid
Also Known As: CBMicro_009086|NCIOpen2_003092|KS-00004CPJ|4-(2,4-dimethylanilino)-4-oxobut-2-enoic acid|4-[(2,4-dimethylphenyl)amino]-4-oxo-2-butenoic acid|4-(2,4-dimethylanilino)-4-oxo-but-2-enoic acid|(2E)-4-[(2,4-dimethylphenyl)amino]-4-oxobut-2-enoic acid|(E)-4-(2,4-dimethylanilino)-4-oxobut-2-enoic acid|(Z)-4-(2,4-Dimethylanilino)-4-oxo-2-butenoic acid|(Z)-4-(2,4-dimethylanilino)-4-oxobut-2-enoic acid|4-[(2,4-dimethylphenyl)amino]-4-oxobut-2-enoic acid|4-((2,4-Dimethylphenyl)amino)-4-oxobut-2-enoic acid
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.08954 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 |
| Monoisotopic Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 7253-68-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)C=CC(=O)O)C |
| InChIKey | YJSWFYKQDVWJSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2,4-Dimethylanilino)-4-oxobut-2-enoic acid (CAS 7253-68-1), with molecular formula C12H13NO3 and molecular weight 219.08954 g/mol. IUPAC: 4-(2,4-dimethylanilino)-4-oxobut-2-enoic acid.
4-(2,4-Dimethylanilino)-4-oxobut-2-enoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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