Basic information
- CAS
5344-60-5- Standard SMILES
COC(=O)C(CC(=O)c1ccccc1)c1ccccc1- InChIKey
SNCNCZYOCXGYFR-UHFFFAOYSA-N- Molecular formula
- C17H16O3
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.10994437
Names & identifiers
- Preferred name
- Methyl 4-oxo-2,4-diphenylbutanoate
- IUPAC
- methyl 4-oxo-2,4-diphenylbutanoate
- English name
- Benzenebutanoic acid, g-oxo-a-phenyl-, methyl ester
- Molecular formula
- C17H16O3
- Molecular weight
- 268.31
Names & synonyms
methyl 4-oxo-2,4-diphenylbutanoate5344-60-5Methyl gamma-oxo-alpha-phenylbenzenebutanoateNSC1138Oprea1_488548DTXSID10277206NSC 1138NSC-1138AS-0375AA-516/12432417Benzenebutanoic acid, g-oxo-a-phenyl-, methyl ester
Database identifiers
- CAS
5344-60-5- PubChem CID
- 219623
- DTXSID
DTXSID10277206- Nikkaji
- J1.408.445B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 325
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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