Basic information
- CAS
6938-44-9- Standard SMILES
CCOC(=O)C(C)CC(=O)c1ccccc1- InChIKey
BOHBYJCFZWBXOZ-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Overview
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Names & identifiers
- Preferred name
- Benzenebutanoic acid, a-methyl-g-oxo-, ethyl ester
- IUPAC
- ethyl 2-methyl-4-oxo-4-phenylbutanoate
- English name
- Benzenebutanoic acid, .alpha.-methyl-.gamma.-oxo-, ethyl ester
- Molecular weight
- 0
Names & synonyms
6938-44-9NSC53963Benzenebutanoic acid, a-methyl-g-oxo-, ethyl esterBOHBYJCFZWBXOZ-UHFFFAOYSA-NNSC-53963DS-010103Benzenebutanoic acid, .alpha.-methyl-.gamma.-oxo-, ethyl ester
Database identifiers
- CAS
6938-44-9- PubChem CID
- 243792
- Nikkaji
- J1.669.042B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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