Benzyl 4-acetylbenzoate
Basic information
- CAS
119838-69-6- Standard SMILES
CC(=O)c1ccc(C(=O)OCc2ccccc2)cc1- InChIKey
MJOALHSDHALYGJ-UHFFFAOYSA-N- Molecular formula
- C16H14O3
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.0942943
Names & identifiers
- Preferred name
- Benzyl 4-acetylbenzoate
- IUPAC
- benzyl 4-acetylbenzoate
Names & synonyms
Benzyl 4-acetylbenzoate119838-69-6Benzoic acid, 4-acetyl-, phenylmethyl esterBenzyl 4-acetylbenzoate #SCHEMBL5446007DTXSID90343498
Database identifiers
- CAS
119838-69-6- PubChem CID
- 590101
- DTXSID
DTXSID90343498- Nikkaji
- J1.938.250H
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 310
Related reactions
3 records
Compound notes
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