chempirical

2-(4-Tolyl)propanoic acid

C10H12O2CAS 938-94-3164.20 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
logP
2.18Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
938-94-3
SMILES
CC1=CC=C(C=C1)C(C)C(=O)O
InChIKey
KDYOFXPLHVSIHS-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)

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Names and synonyms

1 names
  • 2-(4-Methylphenyl)propanoic acid

Work with 2-(4-Tolyl)propanoic 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

Similar compounds

2-(4-Hydroxyphenyl)propionic acid938-96-570 % similar 2-Phenylpropionic acid492-37-567 % similar (+)-2-Phenylpropionic acid7782-24-367 % similar (-)-2-Phenylpropionic acid7782-26-567 % similar DL-2-(4-chlorophenyl)propanoic acid938-95-466 % similar α-Methyl[1,1′-biphenyl]-4-acetic acid6341-72-664 % similar 2-Amino-2-(4-methylphenyl)acetic acid13227-01-561 % similar 2-(4-Bromomethyl)phenylpropionic acid111128-12-260 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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