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Home > Nitro Compounds > 88226-46-4
88226-46-4 | Cyclohexanone, 2-[(acetyloxy)methyl]-2-nitro-
CAS No: 88226-46-4 Catalog No: AG004BFA MDL No:
Product Description
Catalog Number:
AG004BFA
Chemical Name:
Cyclohexanone, 2-[(acetyloxy)methyl]-2-nitro-
CAS Number:
88226-46-4
Molecular Formula:
C9H13NO5
Molecular Weight:
215.2032
IUPAC Name:
(1-nitro-2-oxocyclohexyl)methyl acetate
InChI:
InChI=1S/C9H13NO5/c1-7(11)15-6-9(10(13)14)5-3-2-4-8(9)12/h2-6H2,1H3
InChI Key:
YXEOSJVXENVUTG-UHFFFAOYSA-N
SMILES:
CC(=O)OCC1(CCCCC1=O)[N+](=O)[O-]
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.205g/mol
Monoisotopic Mass:
215.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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