chempirical

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

C10H9NO3CAS 16732-73-3191.19 g/mol

Open in Covalent MOL file
ONHOOH
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
16732-73-3
SMILES
COC1=CC2=C(C=C1)C=C(N2)C(=O)O
InChIKey
XNBGANWAZJWOHS-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO3/c1-14-7-3-2-6-4-9(10(12)13)11-8(6)5-7/h2-5,11H,1H3,(H,12,13)

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Work with 6-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

5-Methoxy-1H-indole-2-carboxylic acid4382-54-179 % similar 6-Bromo-1H-indole-2-carboxylic acid16732-65-359 % similar 6-Chloro-1H-indole-2-carboxylic acid16732-75-559 % similar Indole-2-carboxylic acid1477-50-556 % similar 6-Methoxy-2-naphthoic acid2471-70-756 % similar 6-(Trifluoromethyl)-1H-indole-2-carboxylic acid327-20-855 % similar 4-Methoxyphthalic acid1885-13-853 % similar 6-Methoxy-1H-indazole-3-carboxylic acid518990-36-852 % 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 Methyl oxindole-5-carboxylate199328-10-4 4-Methoxy-1H-indole-3-carboxylic acid203937-50-2

Elsewhere

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