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Home > Nitro Compounds > 847059-64-7
847059-64-7 | Cyclohexanone, 2-(4-nitropentyl)-
CAS No: 847059-64-7 Catalog No: AG004SN9 MDL No:
Product Description
Catalog Number:
AG004SN9
Chemical Name:
Cyclohexanone, 2-(4-nitropentyl)-
CAS Number:
847059-64-7
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
IUPAC Name:
2-(4-nitropentyl)cyclohexan-1-one
InChI:
InChI=1S/C11H19NO3/c1-9(12(14)15)5-4-7-10-6-2-3-8-11(10)13/h9-10H,2-8H2,1H3
InChI Key:
XNLGEAFPTUOUJC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(CCCC1CCCCC1=O)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.277g/mol
Monoisotopic Mass:
213.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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