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Home > Nitro Compounds > 88226-42-0
88226-42-0 | 3-Hexanone, 4-[(acetyloxy)methyl]-2-methyl-4-nitro-
CAS No: 88226-42-0 Catalog No: AG004BFB MDL No:
Product Description
Catalog Number:
AG004BFB
Chemical Name:
3-Hexanone, 4-[(acetyloxy)methyl]-2-methyl-4-nitro-
CAS Number:
88226-42-0
Molecular Formula:
C10H17NO5
Molecular Weight:
231.2457
IUPAC Name:
(2-ethyl-4-methyl-2-nitro-3-oxopentyl) acetate
InChI:
InChI=1S/C10H17NO5/c1-5-10(11(14)15,6-16-8(4)12)9(13)7(2)3/h7H,5-6H2,1-4H3
InChI Key:
DOKAYXNXKOINSJ-UHFFFAOYSA-N
SMILES:
CCC(C(=O)C(C)C)([N+](=O)[O-])COC(=O)C
Properties
Complexity:
294
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:
6
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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