chempirical

2-(2,3-Dimethylphenoxy)acetic acid

C10H12O3CAS 2935-63-9180.20 g/mol

Open in Covalent MOL file
OOOH
Carboxylic acidEther

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
Melting point
116–118 °C
logP
1.77Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
2935-63-9
SMILES
Cc1cccc(OCC(=O)O)c1C
InChIKey
AVDBMBYECMTQJQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-7-4-3-5-9(8(7)2)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)

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

Names and synonyms

5 names
  • Acetic acid, 2-(2,3-dimethylphenoxy)-
  • Acetic acid, (2,3-xylyloxy)-
  • Acetic acid, (2,3-dimethylphenoxy)-
  • (2,3-Dimethylphenoxy)acetic acid
  • NSC 62095

Work with 2-(2,3-Dimethylphenoxy)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-Methylphenoxy)acetic acid1878-49-574 % similar 2-(2,6-Dimethylphenoxy)acetic acid13335-71-271 % similar 1,2-Phenylenedioxydiacetic acid5411-14-362 % similar Mcpa94-74-657 % similar 2-(2-Methoxyphenoxy)acetic acid1878-85-956 % similar O-Chlorophenoxyacetic acid614-61-956 % similar 2-(2,4-Dimethylphenoxy)acetic acid13334-49-156 % similar 2-(2,5-Dimethylphenoxy)acetic acid7356-41-456 % similar

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

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3-Ethoxy-4-methoxybenzaldehyde1131-52-8 3,4-Dimethoxyacetophenone1131-62-0 2′,5′-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2

Elsewhere

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