chempirical

4-Methoxy-1H-indole-2-carboxylic acid

C10H9NO3CAS 103260-65-7191.19 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
103260-65-7
SMILES
COC1=CC=CC2=C1C=C(N2)C(=O)O
InChIKey
ZZAVIQXQBBOHBB-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO3/c1-14-9-4-2-3-7-6(9)5-8(11-7)10(12)13/h2-5,11H,1H3,(H,12,13)

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Work with 4-Methoxy-1H-indole-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

Methyl 4-methoxy-1H-indole-2-carboxylate111258-23-267 % similar 4-Methyl-1H-indole-2-carboxylic acid18474-57-263 % similar 4-Fluoro-1H-indole-2-carboxylic acid399-68-860 % similar 2,6-Dimethoxybenzoic acid1466-76-854 % similar Kynurenic acid492-27-353 % similar 5-Methoxy-1H-indole-2-carboxylic acid4382-54-153 % similar Indole-2-carboxylic acid1477-50-551 % similar 2,3-Dimethoxybenzoic acid1521-38-649 % similar

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

Same formula

5-Methoxy-1H-indole-3-carboxylic acid10242-01-0 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 N-(2-Hydroxyethyl)phthalimide3891-07-4 7-Nitro-1-tetralone40353-34-2

Elsewhere

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