chempirical

Indole-3-pyruvic acid

C11H9NO3CAS 392-12-1203.20 g/mol

Open in Covalent MOL file
OOHONH
Carboxylic acidKetone

Properties

Molecular formula
C11H9NO3
Molar mass
203.20 g/mol
Exact mass
203.0582 Da
Melting point
190–208 °C
logP
1.36Crippen estimate
Polar surface area
70.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
392-12-1
SMILES
O=C(O)C(=O)Cc1c[nH]c2ccccc12
InChIKey
RSTKLPZEZYGQPY-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)

Weigh it out

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

Names and synonyms

15 names · show all
  • 1H-Indole-3-propanoic acid, α-oxo-
  • Indolepyruvic acid
  • α-Oxo-1H-indole-3-propanoic acid
  • 3-Indolylpyruvic acid
  • Indolyl-3-pyruvate
  • β-Indolylpyruvic acid
  • β-Indolepyruvic acid
  • 3-Indolylpyroracemic acid
  • 1H-Indole-3-pyruvic acid
  • Indole-3-pyruvate
  • 3-(3-Indolyl)pyruvic acid
  • 3-(3-Indolyl)-2-oxopropanoic acid
  • NSC 88874
  • POL 240
  • 3-(1H-Indol-3-yl)-2-oxopropanoic acid

Work with Indole-3-pyruvic 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

Indole-3-acetic acid87-51-466 % similar Indole-3-acetone1201-26-957 % similar Indole-3-acetamide879-37-857 % similar 1H-Indole-3-propanoic acid830-96-656 % similar Indole-3-glyoxylic acid1477-49-254 % similar Indole-3-butyric acid133-32-453 % similar β-Indolylacetic acid methyl ester1912-33-053 % similar 3-Indolylacetic acid potassium salt2338-19-453 % similar

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

Same formula

5-Methyl-3-phenylisoxazole-4-carboxylic acid1136-45-4 3-Hydroxy-2-methyl-4-quinolinecarboxylic acid117-57-7 Methyl 3-formyl-1H-indole-6-carboxylate133831-28-4 3-Formyl-1H-indole-1-acetic acid138423-98-0 4-Methoxy-2-quinolinecarboxylic acid15733-83-2 (S)-(+)-N-(2,3-Epoxypropyl)phthalimide161596-47-0 N-(2-Methoxyphenyl)maleimide17392-68-6 Methyl indolyl-3-glyoxylate18372-22-0

Elsewhere

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