chempirical

4-Methoxy-1H-indole-3-carboxylic acid

C10H9NO3CAS 203937-50-2191.19 g/mol

Open in Covalent MOL file
OHNOHO
Carboxylic acidEther

Properties

Molecular formula
C10H9NO3
Molar mass
191.19 g/mol
Exact mass
191.0582 Da
logP
1.87Crippen estimate
Polar surface area
62.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
203937-50-2
SMILES
COC1=CC=CC2=C1C(=CN2)C(=O)O
InChIKey
CWWWWJZMLMUDIM-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO3/c1-14-8-4-2-3-7-9(8)6(5-11-7)10(12)13/h2-5,11H,1H3,(H,12,13)

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Names and synonyms

1 names
  • 4-Methoxyindole-3-carboxylic acid

Work with 4-Methoxy-1H-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

O-Anisic acid579-75-956 % similar 2,3-Dimethoxybenzoic acid1521-38-656 % similar 3-Methoxysalicylic acid877-22-555 % similar 2,6-Dimethoxybenzoic acid1466-76-854 % similar 2-Amino-3-methoxybenzoic acid3177-80-853 % similar 3-Methoxy-2-nitrobenzoic acid4920-80-349 % similar 2,5-Dimethoxybenzoic acid2785-98-049 % similar 2,4-Dimethoxybenzoic acid91-52-149 % similar

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

Same formula

5-Methoxy-1H-indole-3-carboxylic acid10242-01-0 4-Methoxy-1H-indole-2-carboxylic acid103260-65-7 7-Methoxy-1H-indole-3-carboxylic acid128717-77-1 5-Hydroxyindoleacetic acid1321-73-9 2-Oxo-2,3-dihydro-1H-indole-6-carboxylic acid methyl ester14192-26-8 (S)-(-)-4-Benzyloxazolidine-2,5-dione14825-82-2 6-Methoxy-1H-indole-2-carboxylic acid16732-73-3 Methyl oxindole-5-carboxylate199328-10-4

Elsewhere

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