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

C₁₀H₉NO₃CAS 90924-43-9191.19 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

90924-43-9

SMILES

COC1=CC2=C(C=C1)C(=CN2)C(=O)O

InChIKey

LPBGVZVDBKMWFS-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 6-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

4-Hydroxy-6-methoxyquinoline-3-carboxylic acid28027-16-970 % similar 4-Methoxyphthalic acid1885-13-859 % similar 6-Methoxy-1H-indazole-3-carboxylic acid518990-36-858 % similar 6-Methoxy-1-naphthoic acid36112-61-557 % similar 4-Methoxysalicylic acid2237-36-756 % similar 2,5-Dimethoxybenzoic acid2785-98-056 % similar 2-Amino-4-methoxybenzoic acid4294-95-556 % similar 2,4-Dimethoxybenzoic acid91-52-156 % 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 6-Methoxy-1H-indole-2-carboxylic acid16732-73-3 Methyl oxindole-5-carboxylate199328-10-4

Elsewhere

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