chempirical

Indole-3-carboxylic acid

C9H7NO2CAS 771-50-6161.16 g/mol

Open in Covalent MOL file
OHONH
Carboxylic acid

Properties

Molecular formula
C9H7NO2
Molar mass
161.16 g/mol
Exact mass
161.0477 Da
Melting point
206.5 °C
logP
1.87Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
771-50-6
SMILES
O=C(O)c1c[nH]c2ccccc12
InChIKey
KMAKOBLIOCQGJP-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)

Weigh it out

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

Names and synonyms

7 names
  • 1H-Indole-3-carboxylic acid
  • β-Indolylcarboxylic acid
  • 3-Indolylcarboxylic acid
  • 3-Carboxyindole
  • 3-Indoleformic acid
  • Indole-β-carboxylic acid
  • Indol-3-carboxylic acid

Work with Indole-3-carboxylic 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

1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid13721-01-276 % similar Indole-3-glyoxylic acid1477-49-263 % similar 5-Bromo-1H-indole-3-carboxylic acid10406-06-161 % similar 3-(5-Azaindole)carboxylic acid119248-43-061 % similar 5-Chloroindole-3-carboxylic acid10406-05-059 % similar 5-Fluoro-1H-indole-3-carboxylic acid23077-43-259 % similar 3-Acetylindole703-80-059 % similar 1,4-Naphthalenedicarboxylic acid605-70-957 % similar

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

Same formula

3-Phenyl-5(4H)-isoxazolone1076-59-1 8-Hydroxyquinoline N-oxide1127-45-3 7-Methylisatin1127-59-9 Methyl 4-cyanobenzoate1129-35-7 Methyl m-cyanobenzoate13531-48-1 Indole-2-carboxylic acid1477-50-5 8-Hydroxy-1H-quinolin-2-one15450-76-7 3-Aminocoumarin1635-31-0

Elsewhere

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