3-Acetoxybenzoic acid
3-acetyloxybenzoic acid
Also Known As: 3-Acetoxybenzoic acid|3-(acetyloxy)benzoic acid|3-acetyloxybenzoic acid|3-Acetoxybenzoesaure|3-acetoxy benzoic acid|m-acetoxybenzoic acid|ACMC-20anav|5-Acetoxybenzoic acid|3-ACETOXYBENZOICACID|3-acetoxy-benzoic acid|m-Acetoxy Benzoic Acid|Benzoic acid, m-acetoxy|Benzoic acid,3-(acetyloxy)-|2-Bromo-5-methylbenzoic acid|3-Acetoxybenzoic acid, 98%|Benzoic acid, 3-(acetyloxy)-|CS-W017221
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04225 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.04225 |
| Monoisotopic Mass | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 69672-40-8 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC(=C1)C(=O)O |
| InChIKey | NGMYCWFGNSXLMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetoxybenzoic acid (CAS 69672-40-8), with molecular formula C9H8O4 and molecular weight 180.04225 g/mol. IUPAC: 3-acetyloxybenzoic acid.
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