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Home > Nitro Compounds > 22987-82-2
22987-82-2 | Cyclopentene, 1-nitro-
CAS No: 22987-82-2 Catalog No: AG002LS6 MDL No:
Product Description
Catalog Number:
AG002LS6
Chemical Name:
Cyclopentene, 1-nitro-
CAS Number:
22987-82-2
Molecular Formula:
C5H7NO2
Molecular Weight:
113.1146
IUPAC Name:
1-nitrocyclopentene
InChI:
InChI=1S/C5H7NO2/c7-6(8)5-3-1-2-4-5/h3H,1-2,4H2
InChI Key:
HCSNLBURYKRATD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1=CCCC1
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.116g/mol
Monoisotopic Mass:
113.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes. | Journal of the American Chemical Society 20060906 |
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