5-Hydroxyindole-2-carboxylic acid

C₉H₇NO₃CAS 21598-06-1177.16 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol

Properties

Molecular formula: C₉H₇NO₃
Molar mass: 177.16 g/mol
Exact mass: 177.0426 Da
Melting point: 246 °C (decomposes)
logP: 1.57Crippen estimate
Polar surface area: 73.3 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 1

Identifiers

CAS number

21598-06-1

SMILES

O=C(O)c1cc2cc(O)ccc2[nH]1

InChIKey

BIMHWDJKNOMNLD-UHFFFAOYSA-N

InChI

InChI=1S/C9H7NO3/c11-6-1-2-7-5(3-6)4-8(10-7)9(12)13/h1-4,10-11H,(H,12,13)

Weigh it out

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

Names and synonyms

4 names

1H-Indole-2-carboxylic acid, 5-hydroxy-
Indole-2-carboxylic acid, 5-hydroxy-
5-Hydroxy-1H-indole-2-carboxylic acid
NSC 117338

Work with 5-Hydroxyindole-2-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

Indole-2,5-dicarboxylic acid117140-77-969 % similar 5-Methylindole-2-carboxylic acid10241-97-165 % similar 5-Chloro-1H-indole-2-carboxylic acid10517-21-265 % similar 5-Fluoroindole-2-carboxylic acid399-76-865 % similar Indole-2-carboxylic acid1477-50-563 % similar 5-Methoxy-1H-indole-2-carboxylic acid4382-54-160 % similar 6-Bromo-1H-indole-2-carboxylic acid16732-65-356 % similar Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-156 % similar

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

Same formula

2,3-Dihydro-1,4-benzodioxin-6-yl isocyanate100275-94-3 5-Carboxyoxindole102359-00-2 N-Methylisatoic anhydride10328-92-4 5-Nitro-2-indanone116530-60-0 N-(Hydroxymethyl)phthalimide118-29-6 2-Nitrocinnamaldehyde1466-88-2 4-Nitrocinnamaldehyde1734-79-8 6-Nitroindanone24623-24-3

Elsewhere

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