chempirical

p-Hydroxyphenylpyruvic acid

C9H8O4CAS 156-39-8180.16 g/mol

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OHOOOH
Carboxylic acidKetonePhenol

Properties

Molecular formula
C9H8O4
Molar mass
180.16 g/mol
Exact mass
180.0423 Da
Melting point
218 °C
Boiling point
123 °C (at 0.03 Torr)
logP
0.59Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
156-39-8
SMILES
O=C(O)C(=O)Cc1ccc(O)cc1
InChIKey
KKADPXVIOXHVKN-UHFFFAOYSA-N
InChI
InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)

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Names and synonyms

14 names · show all
  • 4-Hydroxyphenylpyruvic acid
  • Benzenepropanoic acid, 4-hydroxy-α-oxo-
  • Pyruvic acid, (p-hydroxyphenyl)-
  • 4-Hydroxy-α-oxobenzenepropanoic acid
  • (p-Hydroxyphenyl)pyruvic acid
  • 3-(p-Hydroxyphenyl)-2-oxopropionic acid
  • Testacid
  • 3-(p-Hydroxyphenyl)pyruvic acid
  • HPPA
  • 3-(4-Hydroxyphenyl)pyruvic acid
  • 3-(4-Hydroxyphenyl)-2-oxopropionic acid
  • NSC 100738
  • NSC 666757
  • 3-(4-Hydroxyphenyl)-2-oxopropanoic acid

Work with p-Hydroxyphenylpyruvic 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-Hydroxyphenylacetic acid156-38-758 % similar 4-Hydroxyphenylacetone770-39-853 % similar (4-Hydroxyphenyl)acetamide17194-82-048 % similar Methyl (4-hydroxyphenyl)acetate14199-15-647 % similar Phloretic acid501-97-347 % similar α-Oxobenzenebutanoic acid710-11-246 % similar Ethyl 4-hydroxyphenylacetate17138-28-245 % similar 4-Hydroxybenzenebutanoic acid7021-11-644 % similar

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

Same formula

5-Acetylsalicylic acid13110-96-8 Monomethyl terephthalate1679-64-7 (4-Formylphenoxy)acetic acid22042-71-3 P-Acetoxybenzoic acid2345-34-8 Methyl 3-formyl-4-hydroxybenzoate24589-99-9 Phenylmalonic acid2613-89-0 1,3-Benzodioxole-5-acetic acid2861-28-1 Caffeic acid331-39-5

Elsewhere

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