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

C₁₀H₉NO₃CAS 16732-73-3191.19 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₉NO₃
Molar mass: 191.19 g/mol
Exact mass: 191.0582 Da
logP: 1.87Crippen estimate
Polar surface area: 62.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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 Methyl 6-methoxy-1H-indole-2-carboxylate98081-83-566 % similar 5,6-Dimethoxyindole-2-carboxylic acid88210-96-265 % similar 6-Bromo-1H-indole-2-carboxylic acid16732-65-359 % similar 6-Chloro-1H-indole-2-carboxylic acid16732-75-559 % similar 6-Fluoroindole-2-carboxylic acid3093-97-859 % similar Indole-2-carboxylic acid1477-50-556 % similar 6-Methoxy-2-naphthoic acid2471-70-756 % 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-Oxindole-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

PubChem CAS Common Chemistry NIST WebBook