(+)-2-Phenylpropionic acid

C₉H₁₀O₂CAS 7782-24-3150.18 g/mol

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Carboxylic acid

Properties

Molecular formula: C₉H₁₀O₂
Molar mass: 150.18 g/mol
Exact mass: 150.0681 Da
Melting point: 150–153 °C
Boiling point: 116–117 °C (at 2.2 Torr)
logP: 1.87Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction87.2% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

7782-24-3

SMILES

C[C@H](C(=O)O)c1ccccc1

InChIKey

YPGCWEMNNLXISK-ZETCQYMHSA-N

InChI

InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1

Weigh it out

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

Names and synonyms

21 names · show all

Benzeneacetic acid, α-methyl-, (αS)-
Hydratropic acid, (S)-(+)-
Benzeneacetic acid, α-methyl-, (S)-
(αS)-α-Methylbenzeneacetic acid
(+)-Hydratropic acid
(S)-(+)-α-Methylphenylacetic acid
(S)-(+)-Hydratropic acid
(S)-Hydratropic acid
(+)-2-Phenylpropanoic acid
(S)-(+)-2-Phenylpropionic acid
(S)-2-Phenylpropionic acid
(+)-α-Phenylpropionic acid
(+)-(S)-Hydratropic acid
(S)-α-Phenylpropionic acid
(S)-2-Phenylpropanoic acid
(+)-(S)-2-Phenylpropionic acid
d-PPA
(S)-α-Methylbenzeneacetic acid
(2S)-2-Phenylpropanoic acid
(S)-α-Methylphenylacetic acid
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 acid7782-26-5Enantiomer 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

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