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Home > Nitro Compounds > 90087-64-2
90087-64-2 | Cyclohexene, 1-(1-nitroethyl)-
CAS No: 90087-64-2 Catalog No: AG00H8A5 MDL No:
Product Description
Catalog Number:
AG00H8A5
Chemical Name:
Cyclohexene, 1-(1-nitroethyl)-
CAS Number:
90087-64-2
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
IUPAC Name:
1-(1-nitroethyl)cyclohexene
InChI:
InChI=1S/C8H13NO2/c1-7(9(10)11)8-5-3-2-4-6-8/h5,7H,2-4,6H2,1H3
InChI Key:
KMVBMOIGIRWXES-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(C1=CCCCC1)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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