Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COC(=O)CC(=O)CCc1ccccc1- InChIKey
SQVSJIIOQBUFOS-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
Names & identifiers
- Preferred name
- Methyl 3-oxo-5-phenylpentanoate
- IUPAC
- methyl 3-oxo-5-phenylpentanoate
Names & synonyms
30414-58-5Methyl 3-oxo-5-phenylpentanoate3-Oxo-5-phenylpentanoic acid methyl esterMFCD11849521UPCMLD00WJAB47methyl benzylacetoacetateValeric acid, 3-oxo-5-phenyl-, methyl esterBenzenepentanoic acid, .beta.-oxo-, methyl esterSCHEMBL1259772methyl 3-oxo-5-phenyl-pentanoateMethyl 3-oxo-5-phenylpentanoate #?-Oxobenzenevaleric acid methyl ester
Show more names
|A-Oxobenzenevaleric acid methyl ester3-Oxo-5-phenylpentanoicacidmethylesterdelta-Oxobenzenevaleric acid methyl ester3-Oxo-5-phenyl-pentanoic acid methyl esterCS-0370962F78707F759070
Database identifiers
- PubChem CID
- 561998
- Nikkaji
- J101.696B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Related reactions
5 records
Compound notes
Loading…