chempirical

4-Methoxymandelic acid

C9H10O4CAS 10502-44-0182.17 g/mol

Open in Covalent MOL file
OOHOOH
AlcoholCarboxylic acidEther

Properties

Molecular formula
C9H10O4
Molar mass
182.17 g/mol
Exact mass
182.0579 Da
Melting point
108 °C
logP
0.81Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
10502-44-0
SMILES
COc1ccc(C(O)C(=O)O)cc1
InChIKey
ITECRQOOEQWFPE-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O4/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

8 names
  • Benzeneacetic acid, α-hydroxy-4-methoxy-
  • Mandelic acid, p-methoxy-
  • α-Hydroxy-4-methoxybenzeneacetic acid
  • p-Methoxymandelic acid
  • 4-Methoxyphenylglycolic acid
  • 2-Hydroxy-2-(4-methoxyphenyl)acetic acid
  • DL-4-Methoxymandelic acid
  • Hydroxy(4-methoxyphenyl)acetic acid

Work with 4-Methoxymandelic 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

4,4′-Dimethoxybenzoin119-52-864 % similar 4-Propoxymandelic acid79694-16-962 % similar 4-Hydroxymandelic acid1198-84-161 % similar Vanillylmandelic acid2394-20-960 % similar (±)-3-Hydroxy-4-methoxymandelic acid3695-24-760 % similar Vanillylmandelic acid55-10-760 % similar (S)-Mandelic acid17199-29-058 % similar (-)-Mandelic acid611-71-258 % similar

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

Same formula

Dihydrocaffeic acid1078-61-1 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-8 3,5-Dimethoxybenzoic acid1132-21-4 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-0 Syringaldehyde134-96-3 2,6-Dimethoxybenzoic acid1466-76-8 2,3-Dimethoxybenzoic acid1521-38-6 4-Methoxyphenoxyacetic acid1877-75-4

Elsewhere

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