Indole-3-glyoxylic acid

C10H7NO3CAS 1477-49-2189.17 g/mol

Open in Covalent MOL file
OHOONH
Carboxylic acidKetone

Properties

Molecular formula
C10H7NO3
Molar mass
189.17 g/mol
Exact mass
189.0426 Da
Melting point
210 °C (decomposes)
logP
1.44Crippen estimate
Polar surface area
70.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

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
1477-49-2
SMILES
O=C(O)C(=O)c1c[nH]c2ccccc12
InChIKey
DWLVFWDCSFTDOD-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO3/c12-9(10(13)14)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H,13,14)

Weigh it out

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

Names and synonyms

9 names
  • 1H-Indole-3-acetic acid, α-oxo-
  • α-Oxo-1H-indole-3-acetic acid
  • 3-Indolylglyoxylic acid
  • β-Indolylglyoxylic acid
  • Indole-3-glyoxalic acid
  • NSC 71954
  • 1H-Indol-3-yl-2-oxoacetic acid
  • 2-(1H-Indol-3-yl)-2-oxoacetic acid
  • 1H-Indol-3-yl(oxo)acetic acid

Work with Indole-3-glyoxylic 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-carboxylic acid771-50-663 % similar α-Oxo-1H-indole-3-acetyl chloride22980-09-262 % similar Methyl indolyl-3-glyoxylate18372-22-057 % similar 3-Acetylindole703-80-054 % similar Indole-3-pyruvic acid392-12-154 % similar Indole-3-(4'-oxo)butyric acid835-45-054 % similar 3-(Trifluoroacetyl)indole14618-45-250 % similar Methyl indole-3-carboxylate942-24-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Dihydro-4-oxoquinoline-2-carboxylic acid13593-94-7 1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid13721-01-2 5-Phenylisoxazole-3-carboxylic acid14441-90-8 3-Phenyl-5-isoxazolecarboxylic acid14442-12-7 8-Hydroxyquinoline-2-carboxylic acid1571-30-8 2-Hydroxycinchoninic acid15733-89-8 N-Acetylphthalimide1971-49-9 8-Hydroxyquinoline-7-carboxylic acid19829-79-9

Elsewhere

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