chempirical

3-(3-Methylphenyl)propionic acid

C10H12O2CAS 3751-48-2164.20 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
logP
2.01Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

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
3751-48-2
SMILES
CC1=CC(=CC=C1)CCC(=O)O
InChIKey
VWXVTHDQAOAENP-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)

Weigh it out

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

Work with 3-(3-Methylphenyl)propionic 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

(3-Methylphenyl)acetic acid621-36-371 % similar Phenylpropanoic acid501-52-068 % similar 3-(4-Methylphenyl)propionic acid1505-50-667 % similar 3-(3-Aminophenyl)propionic acid1664-54-664 % similar 3-(3-Chlorophenyl)propanoic acid21640-48-264 % similar 3-(3-Fluorophenyl)propionic acid458-45-764 % similar 3-(3′-Hydroxyphenyl)propionic acid621-54-564 % similar 3-(3-Bromophenyl)propionic acid42287-90-162 % 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

PubChem CAS Common Chemistry NIST WebBook