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

C₁₀H₉NO₃CAS 10242-01-0191.19 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
Melting point: 172–175 °C
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 4 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

10242-01-0

SMILES

COc1ccc2[nH]cc(C(=O)O)c2c1

InChIKey

RVVSEZGJCOAUED-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

1H-Indole-3-carboxylic acid, 5-methoxy-
Indole-3-carboxylic acid, 5-methoxy-
Indolo-3-carboxylic acid, 5-methoxy-
5-Methoxyindole-3-carboxylic acid
NSC 88877

Work with 5-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

6-Methoxy-1H-indole-3-carboxylic acid90924-43-982 % similar 4-Hydroxy-6-methoxyquinoline-3-carboxylic acid28027-16-980 % similar 5-Bromo-1H-indole-3-carboxylic acid10406-06-163 % similar 5-Chloroindole-3-carboxylic acid10406-05-061 % similar 5-Fluoro-1H-indole-3-carboxylic acid23077-43-261 % similar 4-Methoxyphthalic acid1885-13-861 % similar 5-Methoxyindoleacetic acid3471-31-658 % similar 4-Methoxysalicylic acid2237-36-757 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

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 4-Methoxy-1H-indole-3-carboxylic acid203937-50-2

Elsewhere

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