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Home > Indoles and Oxindole > 3156-51-2
3156-51-2 | 3-(2-Nitrovinyl)-1H-indole
CAS No: 3156-51-2 Catalog No: AG003I1B MDL No:
Product Description
Catalog Number:
AG003I1B
Chemical Name:
3-(2-Nitrovinyl)-1H-indole
CAS Number:
3156-51-2
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
IUPAC Name:
3-[(E)-2-nitroethenyl]-1H-indole
InChI:
InChI=1S/C10H8N2O2/c13-12(14)6-5-8-7-11-10-4-2-1-3-9(8)10/h1-7,11H/b6-5+
InChI Key:
IPASVEYYTNTJTM-AATRIKPKSA-N
SMILES:
[O-][N+](=O)/C=C/c1c[nH]c2c1cccc2
NSC Number:
81232
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| E-Combretastatin and E-resveratrol structural modifications: antimicrobial and cancer cell growth inhibitory beta-E-nitrostyrenes. | Bioorganic & medicinal chemistry 20090915 |
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