chempirical

1H-Indole-1-acetic acid

C10H9NO2CAS 24297-59-4175.19 g/mol

Open in Covalent MOL file
OHON
Carboxylic acid

Properties

Molecular formula
C10H9NO2
Molar mass
175.19 g/mol
Exact mass
175.0633 Da
Melting point
178.4–179.4 °C
logP
1.73Crippen estimate
Polar surface area
42.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
24297-59-4
SMILES
O=C(O)Cn1ccc2ccccc21
InChIKey
WQJFIWXYPKYBTO-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO2/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11/h1-6H,7H2,(H,12,13)

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

Names and synonyms

7 names
  • NSC 75866
  • (Indole-1-yl)acetic acid
  • 2-(1H-Indol-1-yl)acetic acid
  • 2-Indol-1-ylacetic acid
  • Indole-1-acetic acid
  • Indole-N-acetic acid
  • N-Indolylacetic acid

Work with 1H-Indole-1-acetic 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

3-Formyl-1H-indole-1-acetic acid138423-98-049 % similar N-(Carboxymethyl)acridone38609-97-148 % similar 1-(1H-Indol-1-yl)ethanone576-15-841 % similar 2-Naphthaleneacetic acid581-96-440 % similar 1,2-Benzenediacetic acid7500-53-040 % similar 1-Naphthaleneacetic acid86-87-340 % similar Phenylacetic acid103-82-239 % similar 1H-Benzotriazole-1-propanoic acid654-15-938 % similar

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

Same formula

Methyl indole-5-carboxylate1011-65-0 5-Methylindole-2-carboxylic acid10241-97-1 Methyl 4-cyano-2-methylbenzoate103261-67-2 5-Methoxyindole-3-carboxaldehyde10601-19-1 Methyl 1H-indole-2-carboxylate1202-04-6 1-Methyl-1H-indole-2-carboxylic acid16136-58-6 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-9 4-Methyl-1H-indole-2-carboxylic acid18474-57-2

Elsewhere

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