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Home > Nitro Compounds > 168848-30-4
168848-30-4 | Cyclohexanone, 2,2-dimethyl-6-nitro-
CAS No: 168848-30-4 Catalog No: AG001YC6 MDL No:
Product Description
Catalog Number:
AG001YC6
Chemical Name:
Cyclohexanone, 2,2-dimethyl-6-nitro-
CAS Number:
168848-30-4
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
IUPAC Name:
2,2-dimethyl-6-nitrocyclohexan-1-one
InChI:
InChI=1S/C8H13NO3/c1-8(2)5-3-4-6(7(8)10)9(11)12/h6H,3-5H2,1-2H3
InChI Key:
NCBVNLVKDLQZGI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1CCCC(C1=O)(C)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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