CAS 14430-23-0 | 1H-Indole, 5,6-dimethoxy- | CAS Number 14430-23-0

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14430-23-0 | 1H-Indole, 5,6-dimethoxy-

CAS No: 14430-23-0 Catalog No: AG001JAC MDL No:MFCD00005675

Product Description

Catalog Number:

AG001JAC

Chemical Name:

1H-Indole, 5,6-dimethoxy-

CAS Number:

14430-23-0

Molecular Formula:

C10H11NO2

Molecular Weight:

177.1998

MDL Number:

MFCD00005675

IUPAC Name:

5,6-dimethoxy-1H-indole

InChI:

InChI=1S/C10H11NO2/c1-12-9-5-7-3-4-11-8(7)6-10(9)13-2/h3-6,11H,1-2H3

InChI Key:

QODBZRNBPUPLEZ-UHFFFAOYSA-N

SMILES:

COc1cc2[nH]ccc2cc1OC

EC Number:

238-402-5

Properties

Complexity:

174

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

177.203g/mol

Monoisotopic Mass:

177.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Methyl 5,6-dimeth-oxy-1H-indole-2-carboxyl-ate.	Acta crystallographica. Section E, Structure reports online 20091001
Generation of new protein kinase inhibitors utilizing cytochrome p450 mutant enzymes for indigoid synthesis.	Journal of medicinal chemistry 20040603