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Home > Nitro Compounds > 88226-36-2
88226-36-2 | 3-Octanone, 1-hydroxy-2-methyl-2-nitro-
CAS No: 88226-36-2 Catalog No: AG004D1J MDL No:
Product Description
Catalog Number:
AG004D1J
Chemical Name:
3-Octanone, 1-hydroxy-2-methyl-2-nitro-
CAS Number:
88226-36-2
Molecular Formula:
C9H17NO4
Molecular Weight:
203.2356
IUPAC Name:
1-hydroxy-2-methyl-2-nitrooctan-3-one
InChI:
InChI=1S/C9H17NO4/c1-3-4-5-6-8(12)9(2,7-11)10(13)14/h11H,3-7H2,1-2H3
InChI Key:
VCRAULMCKOSHOT-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)C([N+](=O)[O-])(CO)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.238g/mol
Monoisotopic Mass:
203.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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