4-Hydroxymandelic acid

C8H8O4CAS 1198-84-1168.15 g/mol

Open in Covalent MOL file
OHOHOOH
AlcoholCarboxylic acidPhenol

Properties

Molecular formula
C8H8O4
Molar mass
168.15 g/mol
Exact mass
168.0423 Da
Melting point
105–106 °C
logP
0.51Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
1198-84-1
SMILES
O=C(O)C(O)c1ccc(O)cc1
InChIKey
YHXHKYRQLYQUIH-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)

Weigh it out

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

Names and synonyms

19 names · show all
  • α,4-Dihydroxybenzeneacetic acid
  • p-Hydroxymandelic acid
  • 4-Hydroxyphenylglycolic acid
  • p-Hydroxyphenylglycolic acid
  • 2-(4-Hydroxyphenyl)-2-hydroxyacetic acid
  • (±)-p-Hydroxymandelic acid
  • DL-p-Hydroxymandelic acid
  • DL-p-Hydroxyphenylglycolic acid
  • (±)-α,4-Dihydroxybenzeneacetic acid
  • (±)-4-Hydroxymandelic acid
  • 4-Hydroxy-DL-mandelic acid
  • DL-4-Hydroxymandelic acid
  • (RS)-p-Hydroxymandelic acid
  • 4′-Hydroxymandelic acid
  • 2-(4′-Hydroxyphenyl)-2-hydroxyethanoic acid
  • 2-Hydroxy-2-(4-hydroxyphenyl)acetic acid
  • Benzeneacetic acid, α,4-dihydroxy-
  • Mandelic acid, p-hydroxy-
  • (+-)-4-Hydroxymandelic acid

Work with 4-Hydroxymandelic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Hydroxymandelic acid monohydrate184901-84-6Hydrate

Similar compounds

4-Bromomandelic acid6940-50-772 % similar 4-Bromomandelic acid7021-04-772 % similar (S)-Mandelic acid17199-29-068 % similar (-)-Mandelic acid611-71-268 % similar Mandelic acid611-72-368 % similar Mandelic acid90-64-268 % similar (R)-2-(4-Chlorophenyl)-2-hydroxyethanoic acid32189-36-967 % similar 4-Fluoromandelic acid395-33-567 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dihydroxyphenylacetic acid102-32-9 5-Acetoxymethyl-2-furaldehyde10551-58-3 Vanillic acid121-34-6 (4-Hydroxyphenoxy)acetic acid1878-84-8 Methyl 3,4-dihydroxybenzoate2150-43-8 3,5-Dihydroxybenzoic acid methyl ester2150-44-9 Methyl 2,6-dihydroxybenzoate2150-45-0 Methyl 2,5-dihydroxybenzoate2150-46-1

Elsewhere

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