Benzenepentanoic acid
Properties
- Molecular formula
- C11H14O2
- Molar mass
- 178.23 g/mol
- Exact mass
- 178.0994 Da
- Melting point
- 57.5 °C
- Boiling point
- 190 °C
- logP
- 2.48Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 5
Identifiers
CAS number
2270-20-4SMILES
O=C(O)CCCCc1ccccc1InChIKey
BYHDDXPKOZIZRV-UHFFFAOYSA-NInChI
InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Valeric acid, 5-phenyl-
- Valeric acid, δ-phenyl-
- Phenylvaleric acid
- 5-Phenylvaleric acid
- Phenylpentanoic acid
- 5-Phenylpentanoic acid
- δ-Phenylvaleric acid
- NSC 65637
Work with Benzenepentanoic acid
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
8-Phenyloctanoic acid26547-51-396 % similar
Benzenepentadecanoic acid40228-93-196 % similar
Phenylpropanoic acid501-52-077 % similar
4-Fluorobenzenepentanoic acid24484-22-868 % similar
5-Benzoylvaleric acid4144-62-165 % similar
Ζ-Oxobenzeneheptanoic acid7472-43-763 % similar
4-Hydroxybenzenebutanoic acid7021-11-661 % similar
Phenylacetic acid103-82-261 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds