CAS 1016-58-6 | Benzenemethanol, 4,5-dimethoxy-2-nitro- | CAS Number 1016-58-6

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1016-58-6 | Benzenemethanol, 4,5-dimethoxy-2-nitro-

CAS No: 1016-58-6 Catalog No: AG0004Y4 MDL No:MFCD00014701

Product Description

Catalog Number:

AG0004Y4

Chemical Name:

Benzenemethanol, 4,5-dimethoxy-2-nitro-

CAS Number:

1016-58-6

Molecular Formula:

C9H11NO5

Molecular Weight:

213.1873

MDL Number:

MFCD00014701

IUPAC Name:

(4,5-dimethoxy-2-nitrophenyl)methanol

InChI:

InChI=1S/C9H11NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-4,11H,5H2,1-2H3

InChI Key:

WBSCOJBVYHQOFB-UHFFFAOYSA-N

SMILES:

COc1cc([N+](=O)[O-])c(cc1OC)CO

EC Number:

213-806-4

Properties

Complexity:

217

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

213.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

213.189g/mol

Monoisotopic Mass:

213.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Effects of 4,5-dimethoxy groups on the time-resolved photoconversion of 2-nitrobenzyl alcohols and 2-nitrobenzaldehyde into nitroso derivatives.	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20051001