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

C₁₀H₉NO₃CAS 4382-54-1191.19 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
Melting point: 196–197 °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 irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% 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

4382-54-1

SMILES

COc1ccc2[nH]c(C(=O)O)cc2c1

InChIKey

YEBJVSLNUMZXRJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)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

4 names

1H-Indole-2-carboxylic acid, 5-methoxy-
Indole-2-carboxylic acid, 5-methoxy-
5-Methoxyindole-2-carboxylic acid
NSC 30927

Work with 5-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-(Trifluoromethoxy)indole-2-carboxylic acid175203-84-665 % similar 5,6-Dimethoxyindole-2-carboxylic acid88210-96-265 % similar 5-Methylindole-2-carboxylic acid10241-97-163 % similar Indole-2,5-dicarboxylic acid117140-77-962 % similar 5-(Phenylmethoxy)-1H-indole-2-carboxylic acid6640-09-161 % similar 5-Hydroxyindole-2-carboxylic acid21598-06-160 % similar Ethyl 5-methoxy-1H-indole-2-carboxylate4792-58-960 % similar 5-Chloro-1H-indole-2-carboxylic acid10517-21-259 % 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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