Products for Research Use Only

[ (e) -2-nitroethenyl]cyclohexane

CAT: 0127-OR1032234-02Size: 250 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR1032234-02Size:250 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
132839-80-6
Purity
98%
Smiles
O=[N+](/C=C/C1CCCCC1)[O-]

Chemical Information

((E)-2-nitroethenyl)cyclohexane
CAS Number132839-80-6
PubChem CID11094860
IUPAC Name[(E)-2-nitroethenyl]cyclohexane
Molecular FormulaC8H13NO2
Molecular Weight155.19
XLogP3.1
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity154
SMILES
C1CCC(CC1)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C8H13NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h6-8H,1-5H2/b7-6+
InChIKey
KCZCKIXXDUBFDC-VOTSOKGWSA-N
Chemical Structure
2D Structure
2D structure of ((E)-2-nitroethenyl)cyclohexane
CAS: 132839-80-6
CID: 11094860
Formula: C8H13NO2
MW: 155.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight155.19
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass155.094628657
Monoisotopic Mass155.094628657
Topological Polar Surface Area45.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes