CAS 4821-00-5 | 1-METHYL-1H-INDOLE-5,6-DIOL | CAS Number 4821-00-5

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Indoles and Oxindole > 4821-00-5

4821-00-5 | 1-METHYL-1H-INDOLE-5,6-DIOL

CAS No: 4821-00-5 Catalog No: AG006WYN MDL No:

Product Description

Catalog Number:

AG006WYN

Chemical Name:

1-METHYL-1H-INDOLE-5,6-DIOL

CAS Number:

4821-00-5

Molecular Formula:

C9H9NO2

Molecular Weight:

163.1733

IUPAC Name:

1-methylindole-5,6-diol

InChI:

InChI=1S/C9H9NO2/c1-10-3-2-6-4-8(11)9(12)5-7(6)10/h2-5,11-12H,1H3

InChI Key:

VXOSJAYSAUDUOR-UHFFFAOYSA-N

SMILES:

Oc1cc2ccn(c2cc1O)C

Properties

Complexity:

174

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

163.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

163.176g/mol

Monoisotopic Mass:

163.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Exploring the frontiers of synthetic eumelanin polymers by high-resolution matrix-assisted laser/desorption ionization mass spectrometry.	Journal of mass spectrometry : JMS 20120101
Fe(III)-coordination properties of neuromelanin components: 5,6-dihydroxyindole and 5,6-dihydroxyindole-2-carboxylic acid.	Inorganic chemistry 20060501