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Home > Nitro Compounds > 88226-37-3
88226-37-3 | 3-Nonanone, 1-hydroxy-2-methyl-2-nitro-
CAS No: 88226-37-3 Catalog No: AG004D1I MDL No:
Product Description
Catalog Number:
AG004D1I
Chemical Name:
3-Nonanone, 1-hydroxy-2-methyl-2-nitro-
CAS Number:
88226-37-3
Molecular Formula:
C10H19NO4
Molecular Weight:
217.2622
IUPAC Name:
1-hydroxy-2-methyl-2-nitrononan-3-one
InChI:
InChI=1S/C10H19NO4/c1-3-4-5-6-7-9(13)10(2,8-12)11(14)15/h12H,3-8H2,1-2H3
InChI Key:
PFCBAHPPAJMMOZ-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)C([N+](=O)[O-])(CO)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.265g/mol
Monoisotopic Mass:
217.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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