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Home > Nitro Compounds > 89553-39-9
89553-39-9 | Cyclohexene, 4-methyl-1-(1-methylethyl)-5-nitro-4-nitroso-
CAS No: 89553-39-9 Catalog No: AG003ZQC MDL No:
Product Description
Catalog Number:
AG003ZQC
Chemical Name:
Cyclohexene, 4-methyl-1-(1-methylethyl)-5-nitro-4-nitroso-
CAS Number:
89553-39-9
Molecular Formula:
C10H16N2O3
Molecular Weight:
212.2456
IUPAC Name:
4-methyl-5-nitro-4-nitroso-1-propan-2-ylcyclohexene
InChI:
InChI=1S/C10H16N2O3/c1-7(2)8-4-5-10(3,11-13)9(6-8)12(14)15/h4,7,9H,5-6H2,1-3H3
InChI Key:
OLGRXNKTAVABCB-UHFFFAOYSA-N
SMILES:
O=NC1(C)CC=C(CC1[N+](=O)[O-])C(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.249g/mol
Monoisotopic Mass:
212.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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