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

C₁₀H₉NO₃CAS 103260-65-7191.19 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

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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-Fluoroindole-2-carboxylic acid399-68-860 % similar 5,6-Dimethoxyindole-2-carboxylic acid88210-96-260 % similar 2,6-Dimethoxybenzoic acid1466-76-854 % similar 1,4-Dihydro-4-oxoquinoline-2-carboxylic acid13593-94-753 % similar Kynurenic acid492-27-353 % similar 5-Methoxy-1H-indole-2-carboxylic acid4382-54-153 % 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-Oxindole-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 4-Methoxy-1H-indole-3-carboxylic acid203937-50-2

Elsewhere

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