Phenylpropanoic acid
Properties
- Molecular formula
- C9H10O2
- Molar mass
- 150.18 g/mol
- Exact mass
- 150.0681 Da
- Melting point
- 107 °C
- Boiling point
- 279.8 °C
- logP
- 1.70Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Identifiers
CAS number
501-52-0SMILES
O=C(O)CCc1ccccc1InChIKey
XMIIGOLPHOKFCH-UHFFFAOYSA-NInChI
InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- Benzenepropanoic acid
- Hydrocinnamic acid
- Benzylacetic acid
- β-Phenylpropionic acid
- 3-Phenylpropionic acid
- Dihydrocinnamic acid
- Benzenepropionic acid
- 3-Phenylpropanoic acid
- 3-Phenyl-n-propionic acid
- ω-Phenylpropanoic acid
- NSC 9272
- β-Phenylpropanoic acid
Reactions
Work with Phenylpropanoic 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
1,4-Benzenedipropanoic acid4251-21-278 % similar
Benzenepentanoic acid2270-20-477 % similar
8-Phenyloctanoic acid26547-51-374 % similar
Benzenepentadecanoic acid40228-93-174 % similar
Phenylacetic acid103-82-265 % similar
3-(3-Aminophenyl)propionic acid1664-54-665 % similar
3-(3-Chlorophenyl)propanoic acid21640-48-265 % similar
3-Pyridinepropanoic acid3724-19-465 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds