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Home > Nitro Compounds > 88226-33-9
88226-33-9 | 3-Octanone, 2-nitro-
CAS No: 88226-33-9 Catalog No: AG004D1K MDL No:
Product Description
Catalog Number:
AG004D1K
Chemical Name:
3-Octanone, 2-nitro-
CAS Number:
88226-33-9
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
IUPAC Name:
2-nitrooctan-3-one
InChI:
InChI=1S/C8H15NO3/c1-3-4-5-6-8(10)7(2)9(11)12/h7H,3-6H2,1-2H3
InChI Key:
MFGWLVMGVYOSGA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(C(=O)CCCCC)C
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:
2.3
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