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Home > Nitro Compounds > 89718-59-2
89718-59-2 | Cyclooctanone, 2-(2-methyl-2-nitropropyl)-
CAS No: 89718-59-2 Catalog No: AG0042BJ MDL No:
Product Description
Catalog Number:
AG0042BJ
Chemical Name:
Cyclooctanone, 2-(2-methyl-2-nitropropyl)-
CAS Number:
89718-59-2
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
IUPAC Name:
2-(2-methyl-2-nitropropyl)cyclooctan-1-one
InChI:
InChI=1S/C12H21NO3/c1-12(2,13(15)16)9-10-7-5-3-4-6-8-11(10)14/h10H,3-9H2,1-2H3
InChI Key:
XRNUDBLBIVESNE-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCC1CC([N+](=O)[O-])(C)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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