CAS 1196-79-8 | 1H-Indole, 2,5-dimethyl- | CAS Number 1196-79-8

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1196-79-8 | 1H-Indole, 2,5-dimethyl-

CAS No: 1196-79-8 Catalog No: AG000P96 MDL No:MFCD00005621

Product Description

Catalog Number:

AG000P96

Chemical Name:

1H-Indole, 2,5-dimethyl-

CAS Number:

1196-79-8

Molecular Formula:

C10H11N

Molecular Weight:

145.2010

MDL Number:

MFCD00005621

IUPAC Name:

2,5-dimethyl-1H-indole

InChI:

InChI=1S/C10H11N/c1-7-3-4-10-9(5-7)6-8(2)11-10/h3-6,11H,1-2H3

InChI Key:

ZFLFWZRPMDXJCW-UHFFFAOYSA-N

SMILES:

Cc1ccc2c(c1)cc([nH]2)C

EC Number:

214-816-1

UNII:

ETU94V283M

Properties

Complexity:

144

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

145.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

145.205g/mol

Monoisotopic Mass:

145.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

15.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Indole ring oxidation by activated leukocytes prevents the production of hypochlorous acid.	Brazilian journal of medical and biological research = Revista brasileira de pesquisas medicas e biologicas 20051101
Prediction of genotoxicity of chemical compounds by statistical learning methods.	Chemical research in toxicology 20050601