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Home > Nitro Compounds > 88226-41-9
88226-41-9 | 4-Heptanone, 3-[(acetyloxy)methyl]-3-nitro-
CAS No: 88226-41-9 Catalog No: AG004D1G MDL No:
Product Description
Catalog Number:
AG004D1G
Chemical Name:
4-Heptanone, 3-[(acetyloxy)methyl]-3-nitro-
CAS Number:
88226-41-9
Molecular Formula:
C10H17NO5
Molecular Weight:
231.2457
IUPAC Name:
(2-ethyl-2-nitro-3-oxohexyl) acetate
InChI:
InChI=1S/C10H17NO5/c1-4-6-9(13)10(5-2,11(14)15)7-16-8(3)12/h4-7H2,1-3H3
InChI Key:
PQQNUXSOZVDMMR-UHFFFAOYSA-N
SMILES:
CCCC(=O)C([N+](=O)[O-])(COC(=O)C)CC
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.248g/mol
Monoisotopic Mass:
231.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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