chempirical

(+-)-3-(4-Hydroxyphenyl)lactic acid

C9H10O4CAS 306-23-0182.18 g/mol

Open in Covalent MOL file
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AlcoholCarboxylic acidPhenol

Properties

Molecular formula
C9H10O4
Molar mass
182.18 g/mol
Exact mass
182.0579 Da
Melting point
140 °C
logP
0.38Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
306-23-0
SMILES
O=C(O)C(O)Cc1ccc(O)cc1
InChIKey
JVGVDSSUAVXRDY-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)

Weigh it out

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

Names and synonyms

17 names · show all
  • (±)-3-(4-Hydroxyphenyl)lactic acid
  • Benzenepropanoic acid, α,4-dihydroxy-
  • Lactic acid, 3-(p-hydroxyphenyl)-
  • α,4-Dihydroxybenzenepropanoic acid
  • β-(p-Hydroxyphenyl)lactic acid
  • 3-(4-Hydroxyphenyl)lactic acid
  • 2-Hydroxy-3-(p-hydroxyphenyl)propionic acid
  • β-(4-Hydroxyphenyl)lactic acid
  • HPLA
  • 2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid
  • β-(p-Hydroxyphenyl)-DL-lactic acid
  • DL-p-Hydroxyphenyllactic acid
  • DL-3-(4-Hydroxyphenyl)lactic acid
  • 3-(4-Hydroxyphenyl)-DL-lactic acid
  • (RS)-3-(4-Hydroxyphenyl)lactic acid
  • NSC 111175
  • p-Hydroxy-dl-phenyllactic acid

Work with (+-)-3-(4-Hydroxyphenyl)lactic 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.

(S)-3-(4-Hydroxyphenyl)-2-hydroxypropionic acid23508-35-2Defined stereoisomer

Similar compounds

(-)-3-Phenyllactic acid20312-36-171 % similar (+)-3-Phenyllactic acid7326-19-471 % similar (+-)-3-Phenyllactic acid828-01-371 % similar Danshensu76822-21-466 % similar D-Tyrosine556-02-562 % similar DL-Tyrosine556-03-662 % similar Tyrosine60-18-462 % similar Tyrosine hydrochloride16870-43-257 % similar

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

Same formula

4-Methoxymandelic acid10502-44-0 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

Elsewhere

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