4-Oxo-6-phenylhexanoic acid
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Basic information
- Standard SMILES
O=C(O)CCC(=O)CCc1ccccc1- InChIKey
ROZZUHUWXZLYCS-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
Names & identifiers
- Preferred name
- 4-Oxo-6-phenylhexanoic acid
- IUPAC
- 4-oxo-6-phenylhexanoic acid
Names & synonyms
4-oxo-6-phenylhexanoic acidBenzenehexanoic acid, .gamma.-oxo-4-Oxo-6-phenyl-hexanoic acidSCHEMBL5355399AKOS012176135
Database identifiers
- PubChem CID
- 609773
- Nikkaji
- J1.402.412C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Related reactions
3 records
Compound notes
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