5,6-Dimethoxyindole-2-carboxylic acid

C₁₁H₁₁NO₄CAS 88210-96-2221.21 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₁H₁₁NO₄
Molar mass: 221.21 g/mol
Exact mass: 221.0688 Da
logP: 1.88Crippen estimate
Polar surface area: 71.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

88210-96-2

SMILES

COC1=C(C=C2C(=C1)C=C(N2)C(=O)O)OC

InChIKey

UZHQHNDRVITJPL-UHFFFAOYSA-N

InChI

InChI=1S/C11H11NO4/c1-15-9-4-6-3-8(11(13)14)12-7(6)5-10(9)16-2/h3-5,12H,1-2H3,(H,13,14)

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Names and synonyms

1 names

5,6-Dimethoyxindole-2-carboxylic acid

Work with 5,6-Dimethoxyindole-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

6-Methoxy-1H-indole-2-carboxylic acid16732-73-365 % similar 5-Methoxy-1H-indole-2-carboxylic acid4382-54-165 % similar 4-Methoxy-1H-indole-2-carboxylic acid103260-65-760 % similar 5,6-Difluoroindole-2-carboxylic acid169674-35-556 % similar 5-Methylindole-2-carboxylic acid10241-97-154 % similar Indole-2,5-dicarboxylic acid117140-77-953 % similar Indole-2-carboxylic acid1477-50-551 % similar 5-Hydroxyindole-2-carboxylic acid21598-06-151 % similar

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

Same formula

(S)-Benzyl (2-oxooxetan-3-YL)carbamate26054-60-4 2-Acetoacetylaminobenzoic acid35354-86-0 (2E)-4-((4-Methoxyphenyl)amino)-4-oxo-2-butenoic acid37902-60-6 Ethyl m-nitrocinnamate5396-71-4 Ethyl 3-(4-nitrophenyl)-2-propenoate953-26-4

Elsewhere

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