chempirical

2-(2,3-Dimethylphenyl)acetic acid

C10H12O2CAS 30981-98-7164.20 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
1.93Crippen 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
30981-98-7
SMILES
CC1=C(C(=CC=C1)CC(=O)O)C
InChIKey
AMPNBNGNPLXMOP-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-7-4-3-5-9(8(7)2)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)

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Names and synonyms

1 names
  • 2,3-Dimethylphenylacetic acid

Work with 2-(2,3-Dimethylphenyl)acetic 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-Methylphenyl)acetic acid644-36-072 % similar 2-Methyl-3-nitrobenzeneacetic acid23876-15-559 % similar 3-(2-Methylphenyl)propionic acid22084-89-558 % similar 1,2-Benzenediacetic acid7500-53-058 % similar 5,6-Dimethylxanthenone-4-acetic acid117570-53-357 % similar 2-(2,3-Dimethylphenoxy)acetic acid2935-63-956 % similar 2,3-Dimethylbenzenemethanol13651-14-453 % similar 2,3-Dimethylbenzylamine51586-20-053 % 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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