4-Methoxy-3-methylphenylacetic acid

C₁₀H₁₂O₃CAS 4513-73-9180.20 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₁₂O₃
Molar mass: 180.20 g/mol
Exact mass: 180.0786 Da
logP: 1.63Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
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

4513-73-9

SMILES

CC1=C(C=CC(=C1)CC(=O)O)OC

InChIKey

GYBWDAKGSPTODN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-Methoxy-3-methylphenylacetic 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

(3,4-Dimethoxyphenyl)acetic acid93-40-375 % similar 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-869 % similar (3-Fluoro-4-methoxyphenyl)acetic acid452-14-269 % similar 3-Bromo-4-methoxyphenylacetic acid774-81-268 % similar Homovanillic acid306-08-165 % similar 4-Ethoxy-3-methoxybenzeneacetic acid120-13-864 % similar 3,4,5-Trimethoxyphenylacetic acid951-82-659 % similar (4-Methoxyphenyl)acetic acid104-01-858 % 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

PubChem CAS Common Chemistry NIST WebBook