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Home > Nitro Compounds > 78354-74-2
78354-74-2 | Cyclohexanone, 2-(2-methyl-2-nitropropyl)-
CAS No: 78354-74-2 Catalog No: AG005MAA MDL No:
Product Description
Catalog Number:
AG005MAA
Chemical Name:
Cyclohexanone, 2-(2-methyl-2-nitropropyl)-
CAS Number:
78354-74-2
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
IUPAC Name:
2-(2-methyl-2-nitropropyl)cyclohexan-1-one
InChI:
InChI=1S/C10H17NO3/c1-10(2,11(13)14)7-8-5-3-4-6-9(8)12/h8H,3-7H2,1-2H3
InChI Key:
HJHZKGAAHHUQRE-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1CC([N+](=O)[O-])(C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.25g/mol
Monoisotopic Mass:
199.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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