(-)-2-Phenylpropionic acid

C9H10O2CAS 7782-26-5150.18 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C9H10O2
Molar mass
150.18 g/mol
Exact mass
150.0681 Da
Melting point
30–30.6 °C
Boiling point
115 °C (at 1.5 Torr)
logP
1.87Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
7782-26-5
SMILES
C[C@@H](C(=O)O)c1ccccc1
InChIKey
YPGCWEMNNLXISK-SSDOTTSWSA-N
InChI
InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

20 names · show all
  • Benzeneacetic acid, α-methyl-, (αR)-
  • Hydratropic acid, (R)-(-)-
  • Benzeneacetic acid, α-methyl-, (R)-
  • (αR)-α-Methylbenzeneacetic acid
  • (-)-Hydratropic acid
  • (-)-2-Phenylpropanoic acid
  • (R)-Hydratropic acid
  • (R)-2-Phenylpropionic acid
  • (-)-α-Phenylpropionic acid
  • (R)-(-)-Hydratropic acid
  • (R)-(-)-2-Phenylpropionic acid
  • (R)-α-Methylbenzeneacetic acid
  • (R)-α-Phenylpropionic acid
  • (R)-2-Phenylpropanoic acid
  • (-)-(R)-2-Phenylpropionic acid
  • l-PPA
  • (R)-α-Methylphenylacetic acid
  • (2R)-2-Phenylpropanoic acid
  • NSC 245032
  • 2-Phenylpropionic acid, (-)-

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 Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(+)-2-Phenylpropionic acid7782-24-3Enantiomer 2-Phenylpropionic acid492-37-5Stereo not defined

Similar compounds

α-Methyl[1,1′-biphenyl]-4-acetic acid6341-72-679 % similar 2-(4-Hydroxyphenyl)propionic acid938-96-569 % similar 2-(4-Tolyl)propanoic acid938-94-367 % similar Ketoprofen22071-15-466 % similar (+)-Ketoprofen22161-81-566 % similar Fenoprofen31879-05-766 % similar DL-2-(4-chlorophenyl)propanoic acid938-95-465 % similar 3-Methyl-2-phenylbutanoic acid3508-94-961 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Acetanisole100-06-1 4-Ethoxybenzaldehyde10031-82-0 Methyl phenylacetate101-41-7 (2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-7 2-Phenylethyl formate104-62-1 Hydroxychavicol1126-61-0 3-Methylphenyl acetate122-46-3 Phenyl glycidyl ether122-60-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook