2-Pentanoylbenzoic acid
2-pentanoylbenzoic acid
Also Known As: 2-pentanoylbenzoic acid|Ligusticumic acid|o-Valerylbenzoic acid|2-Valerylbenzoic acid|2-pentanoylbenzoate|Benzoic acid, o-valeryl-|Benzoic acid,2-(1-oxopentyl)-|Butylphthalide Impurity 3|Butylphthalide Impurity 7|2-PENTANOYLBENZOICACID|2-(1-Oxopentyl)benzoic acid|n-Valerophenone-O-carboxylic acid|Benzoic acid, 2-(1-oxopentyl)-|2-(alpha-n-pentanonyl)benzoic acid
CAS: 550-37-8
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.0943 g/mol |
| LogP | 2.7577 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.0943 |
| Monoisotopic Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 368.88492 |
Chemical Identifiers
| CAS Number | 550-37-8 |
|---|---|
| SMILES | CCCCC(=O)C1=CC=CC=C1C(=O)O |
Product Overview
2-Pentanoylbenzoic acid (CAS 550-37-8), with molecular formula C12H14O3 and molecular weight 206.0943 g/mol. IUPAC: 2-pentanoylbenzoic 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.
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