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Home > Nitro Compounds > 83483-16-3
83483-16-3 | 4-Octanone, 3-nitro-
CAS No: 83483-16-3 Catalog No: AG0053Z3 MDL No:
Product Description
Catalog Number:
AG0053Z3
Chemical Name:
4-Octanone, 3-nitro-
CAS Number:
83483-16-3
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
IUPAC Name:
3-nitrooctan-4-one
InChI:
InChI=1S/C8H15NO3/c1-3-5-6-8(10)7(4-2)9(11)12/h7H,3-6H2,1-2H3
InChI Key:
NGFZDFARLSGMKO-UHFFFAOYSA-N
SMILES:
CCCCC(=O)C([N+](=O)[O-])CC
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.212g/mol
Monoisotopic Mass:
173.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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