CAS 6178-42-3 | 2-Methoxy-4-(2-nitrovinyl)phenol | CAS Number 6178-42-3

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6178-42-3 | 2-Methoxy-4-(2-nitrovinyl)phenol

CAS No: 6178-42-3 Catalog No: AG003UY1 MDL No:MFCD00024827

Product Description

Catalog Number:

AG003UY1

Chemical Name:

2-Methoxy-4-(2-nitrovinyl)phenol

CAS Number:

6178-42-3

Molecular Formula:

C9H9NO4

Molecular Weight:

195.1721

MDL Number:

MFCD00024827

IUPAC Name:

2-methoxy-4-[(E)-2-nitroethenyl]phenol

InChI:

InChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+

InChI Key:

XVXCSPJSXIUNQJ-SNAWJCMRSA-N

SMILES:

COc1cc(ccc1O)/C=C/[N+](=O)[O-]

NSC Number:

210766

Properties

Complexity:

223

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

195.174g/mol

Monoisotopic Mass:

195.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
The synthesis and biologic evaluation of anti-platelet and cytotoxic β-nitrostyrenes.	Bioorganic & medicinal chemistry 20101101
E-Combretastatin and E-resveratrol structural modifications: antimicrobial and cancer cell growth inhibitory beta-E-nitrostyrenes.	Bioorganic & medicinal chemistry 20090915
Pharmacophore modeling study based on known spleen tyrosine kinase inhibitors together with virtual screening for identifying novel inhibitors.	Bioorganic & medicinal chemistry letters 20090401
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
[Structure and antitubercular activity of some diphenyl esters].	Farmakologiia i toksikologiia 19740101