chempirical

3-Formyl-1H-indole-1-acetic acid

C11H9NO3CAS 138423-98-0203.20 g/mol

Open in Covalent MOL file
ONOOH
AldehydeCarboxylic acid

Properties

Molecular formula
C11H9NO3
Molar mass
203.20 g/mol
Exact mass
203.0582 Da
logP
1.54Crippen estimate
Polar surface area
59.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
138423-98-0
SMILES
O=Cc1cn(CC(=O)O)c2ccccc12
InChIKey
ZUUGBTJTGRTIFK-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO3/c13-7-8-5-12(6-11(14)15)10-4-2-1-3-9(8)10/h1-5,7H,6H2,(H,14,15)

Weigh it out

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

Names and synonyms

4 names
  • 1H-Indole-1-acetic acid, 3-formyl-
  • (3-Formyl-1-indolyl)aceticacid
  • 2-(3-Formyl-1H-indol-1-yl)acetic acid
  • 2-(3-Formylindol-1-yl)acetic acid

Work with 3-Formyl-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

1-Benzyl-1H-indole-3-carbaldehyde10511-51-057 % similar 1-Acetylindole-3-carboxaldehyde22948-94-350 % similar 1H-Indole-1-acetic acid24297-59-449 % similar N-(Carboxymethyl)acridone38609-97-148 % similar 1-Methylindole-3-carboxaldehyde19012-03-448 % similar (2-Formylphenoxy)acetic acid6280-80-443 % similar 1-(Phenylmethyl)-1H-indole-3-carboxylic acid27018-76-438 % similar Bendazac20187-55-736 % 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 4-Methoxy-2-quinolinecarboxylic acid15733-83-2 2-[(2S)-2-Oxiranylmethyl]-1H-isoindole-1,3(2H)-dione161596-47-0 N-(2-Methoxyphenyl)maleimide17392-68-6 3-Phthalimidopropionaldehyde2436-29-5 Indole-3-pyruvic acid392-12-1

Elsewhere

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