4-(3,4-Dimethoxyphenyl)-4-oxo-but-2-enoic acid
4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid
Also Known As: 4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid|4-(3,4-dimethoxyphenyl)-4-oxo-but-2-enoic acid|4-(3,4-Dimethoxy-phenyl)-4-oxo-but-2-enoic acid|2-Butenoic acid,4-(3,4-dimethoxyphenyl)-4-oxo-, (2E)-
CAS: 80937-23-1
| Molecular Formula | C12H12O5 |
|---|---|
| Molecular Weight | 236.06847 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.06847 |
| Monoisotopic Mass | 236.06847 |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 80937-23-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)C=CC(=O)O)OC |
| InChIKey | QUWWWXPLUJFEHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Organic Building Blocks (16 patents)
Pharmaceutical Intermediates (4 patents)
Product Overview
4-(3,4-Dimethoxyphenyl)-4-oxo-but-2-enoic acid (CAS 80937-23-1), with molecular formula C12H12O5 and molecular weight 236.06847 g/mol. IUPAC: 4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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