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Home > Nitro Compounds > 3316-24-3
3316-24-3 | 1-Methoxy-2-(2-nitrovinyl)benzene
CAS No: 3316-24-3 Catalog No: AG003HKP MDL No:MFCD00070647
Product Description
Catalog Number:
AG003HKP
Chemical Name:
1-Methoxy-2-(2-nitrovinyl)benzene
CAS Number:
3316-24-3
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD00070647
IUPAC Name:
1-methoxy-2-[(E)-2-nitroethenyl]benzene
InChI:
InChI=1S/C9H9NO3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3/b7-6+
InChI Key:
FVKSRNVYJXQCLK-VOTSOKGWSA-N
SMILES:
COc1ccccc1/C=C/[N+](=O)[O-]
Properties
Complexity:
198
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:
2.1
Literature
| Title | Journal |
|---|---|
| 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 |
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