chempirical

1H-Indole-7-carboxylic acid

C9H7NO2CAS 1670-83-3161.16 g/mol

Open in Covalent MOL file
OHOHN
Carboxylic acid

Properties

Molecular formula
C9H7NO2
Molar mass
161.16 g/mol
Exact mass
161.0477 Da
Melting point
206–212 °C
logP
1.87Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
1670-83-3
SMILES
O=C(O)c1cccc2cc[nH]c12
InChIKey
IPDOBVFESNNYEE-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO2/c11-9(12)7-3-1-2-6-4-5-10-8(6)7/h1-5,10H,(H,11,12)

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

Names and synonyms

2 names
  • Indole-7-carboxylic acid
  • 7-Carboxyindole

Work with 1H-Indole-7-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-Naphthoic acid86-55-553 % similar Hemimellitic acid569-51-750 % similar Phthalic acid88-99-350 % similar 8-Bromo-1-naphthalenecarboxylic acid1729-99-349 % similar Naphthalamic acid5811-88-147 % similar Ammonium phthalate523-24-045 % similar 6-Hydroxy-1-naphthoic acid2437-17-445 % similar 7-Chloroindole53924-05-344 % 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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