2-Phenylpropionic acid
Properties
- Molecular formula
- C9H10O2
- Molar mass
- 150.18 g/mol
- Exact mass
- 150.0681 Da
- Melting point
- 46 °C
- Boiling point
- 261 °C
- logP
- 1.87Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Identifiers
CAS number
492-37-5SMILES
CC(C(=O)O)c1ccccc1InChIKey
YPGCWEMNNLXISK-UHFFFAOYSA-NInChI
InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
17 names · show all
- Benzeneacetic acid, α-methyl-
- Hydratropic acid
- α-Methylbenzeneacetic acid
- α-Phenylpropionic acid
- 2-Phenylpropanoic acid
- α-Methylphenylacetic acid
- (±)-Hydratropic acid
- (±)-2-Phenylpropionic acid
- (±)-α-Methylphenylacetic acid
- (±)-2-Phenylpropanoic acid
- (RS)-2-Phenylpropionic acid
- Dl-PPA
- DL-2-Phenylpropionic acid
- (RS)-2-Phenylpropanoic acid
- NSC 245033
- NSC 42872
- α-Phenylpropanoic acid
Reactions
Work with 2-Phenylpropionic 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
(+)-2-Phenylpropionic acid7782-24-3100 % similar
(-)-2-Phenylpropionic acid7782-26-5100 % similar
α-Methyl[1,1′-biphenyl]-4-acetic acid6341-72-679 % similar
2-(4-Hydroxyphenyl)propionic acid938-96-569 % similar
Ketoprofen22071-15-466 % similar
(+)-Ketoprofen22161-81-566 % similar
Fenoprofen31879-05-766 % similar
4-Chloro-α-methylbenzeneacetic acid938-95-465 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds