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

C₁₀H₉NO₃CAS 128717-77-1191.19 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 2 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

128717-77-1

SMILES

COc1cccc2c(C(=O)O)c[nH]c12

InChIKey

MSALXMDIYCKASR-UHFFFAOYSA-N

InChI

InChI=1S/C10H9NO3/c1-14-8-4-2-3-6-7(10(12)13)5-11-9(6)8/h2-5,11H,1H3,(H,12,13)

Weigh it out

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

Names and synonyms

2 names

1H-Indole-3-carboxylic acid, 7-methoxy-
7-Methoxyindole-3-carboxylic acid

Work with 7-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

2-Methoxybenzoic acid529-75-956 % similar o-Anisic acid579-75-956 % similar 2,3-Dimethoxybenzoic acid1521-38-656 % similar 4-Methoxy-1-naphthalenecarboxylic acid13041-62-855 % similar 3-Methoxy-2-methylbenzoic acid55289-06-055 % similar 3-Methoxysalicylic acid877-22-555 % similar 2,6-Dimethoxybenzoic acid1466-76-854 % similar 2-Fluoro-3-methoxybenzoic acid137654-20-753 % 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 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

PubChem CAS Common Chemistry NIST WebBook