Phenylmethyl 4-methyl-3-oxopentanoate
Basic information
- CAS
94250-56-3- Standard SMILES
CC(C)C(=O)CC(=O)OCc1ccccc1- InChIKey
WFJAQDNQCDHVBK-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- Phenylmethyl 4-methyl-3-oxopentanoate
- IUPAC
- benzyl 4-methyl-3-oxopentanoate
Names & synonyms
94250-56-3Phenylmethyl 4-methyl-3-oxopentanoateRefChem:369901Benzyl 4-methyl-3-oxopentanoateSCHEMBL831372WFJAQDNQCDHVBK-UHFFFAOYSA-NDTXSID401286439SY3449024-methyl-3-oxo-pentanoic acid benzyl ester
Database identifiers
- CAS
94250-56-3- PubChem CID
- 11276044
- DTXSID
DTXSID401286439- Nikkaji
- J2.539.839D
Properties
Computed structural properties
- XLogP
- 2.5
- 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
- 240
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Related reactions
1 records
Compound notes
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