2-(2,6-Dimethylphenoxy)acetic acid

C₁₀H₁₂O₃CAS 13335-71-2180.20 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid

Properties

Molecular formula: C₁₀H₁₂O₃
Molar mass: 180.20 g/mol
Exact mass: 180.0786 Da
Melting point: 141 °C
logP: 1.77Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

13335-71-2

SMILES

Cc1cccc(C)c1OCC(=O)O

InChIKey

MLBCURLNKYKBEQ-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O3/c1-7-4-3-5-8(2)10(7)13-6-9(11)12/h3-5H,6H2,1-2H3,(H,11,12)

Weigh it out

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

Names and synonyms

5 names

Acetic acid, 2-(2,6-dimethylphenoxy)-
Acetic acid, (2,6-xylyloxy)-
Acetic acid, (2,6-dimethylphenoxy)-
(2,6-Dimethylphenoxy)acetic acid
NSC 408599

Work with 2-(2,6-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

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3,4-Dimethoxyacetophenone1131-62-0 2′,5′-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2 4-(1-Methylethoxy)benzoic acid13205-46-4

Elsewhere

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