CAS 7559-36-6 | 1-Methyl-4-(2-nitrovinyl);benzene | CAS Number 7559-36-6

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7559-36-6 | 1-Methyl-4-(2-nitrovinyl);benzene

CAS No: 7559-36-6 Catalog No: AG005JI7 MDL No:MFCD00024828

Product Description

Catalog Number:

AG005JI7

Chemical Name:

1-Methyl-4-(2-nitrovinyl);benzene

CAS Number:

7559-36-6

Molecular Formula:

C9H9NO2

Molecular Weight:

163.1733

MDL Number:

MFCD00024828

IUPAC Name:

1-methyl-4-[(E)-2-nitroethenyl]benzene

InChI:

InChI=1S/C9H9NO2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3/b7-6+

InChI Key:

JSPNBERPFLONRX-VOTSOKGWSA-N

SMILES:

Cc1ccc(cc1)C=C[N+](=O)[O-]

NSC Number:

145880

Properties

Complexity:

176

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:

45.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
The synthesis and biologic evaluation of anti-platelet and cytotoxic β-nitrostyrenes.	Bioorganic & medicinal chemistry 20101101
Synthesis and biological evaluation of N-acetyl-beta-aryl-1,2-didehydroethylamines as new HIV-1 RT inhibitors in vitro.	Bioorganic & medicinal chemistry letters 20070815