Home Nitros 1-(4-Methoxyphenyl)-2-nitroethylene

1-(4-Methoxyphenyl)-2-nitroethylene

CAS No.:
3179-10-0
Catalog Number:
AG00BXN2
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$78
- +
5g
98%
1 week
United States
$156
- +
Product Description
Catalog Number:
AG00BXN2
Chemical Name:
1-(4-Methoxyphenyl)-2-nitroethylene
CAS Number:
3179-10-0
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD00024826
IUPAC Name:
1-methoxy-4-[(E)-2-nitroethenyl]benzene
InChI:
InChI=1S/C9H9NO3/c1-13-9-4-2-8(3-5-9)6-7-10(11)12/h2-7H,1H3/b7-6+
InChI Key:
JKQUXSHVQGBODD-VOTSOKGWSA-N
SMILES:
COc1ccc(cc1)/C=C/[N+](=O)[O-]
NSC Number:
23856
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
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
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
Properties