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Home > Nitro Compounds > 87740-89-4
87740-89-4 | Cyclohexanecarbonitrile, 1-(1-nitroethyl)-
CAS No: 87740-89-4 Catalog No: AG004FMC MDL No:
Product Description
Catalog Number:
AG004FMC
Chemical Name:
Cyclohexanecarbonitrile, 1-(1-nitroethyl)-
CAS Number:
87740-89-4
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
IUPAC Name:
1-(1-nitroethyl)cyclohexane-1-carbonitrile
InChI:
InChI=1S/C9H14N2O2/c1-8(11(12)13)9(7-10)5-3-2-4-6-9/h8H,2-6H2,1H3
InChI Key:
WGDWKRSRCTZWSG-UHFFFAOYSA-N
SMILES:
CC(C1(CCCCC1)C#N)[N+](=O)[O-]
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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