2-(1,3-Benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid
2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid
Also Known As: 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid|2-Benzo[1,3]dioxol-5-yl-4-(3,4-dimethoxyphenyl)-4-oxo-butanoic acid
CAS: 514-96-5
| Molecular Formula | C19H18O7 |
|---|---|
| Molecular Weight | 358.10526 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.10526 |
| Monoisotopic Mass | 358.10526 |
| Heavy Atoms | 26 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 514-96-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C(=O)O)OC |
| InChIKey | BCCFHQDEZSIZJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (1 patents)
Product Overview
2-(1,3-Benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid (CAS 514-96-5), with molecular formula C19H18O7 and molecular weight 358.10526 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanoic 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 →
2-(1,3-Benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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