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Home > Nitro Compounds > 88238-89-5
88238-89-5 | Cycloheptanone, 2-[(acetyloxy)methyl]-2-nitro-
CAS No: 88238-89-5 Catalog No: AG004AUJ MDL No:
Product Description
Catalog Number:
AG004AUJ
Chemical Name:
Cycloheptanone, 2-[(acetyloxy)methyl]-2-nitro-
CAS Number:
88238-89-5
Molecular Formula:
C10H15NO5
Molecular Weight:
229.2298
IUPAC Name:
(1-nitro-2-oxocycloheptyl)methyl acetate
InChI:
InChI=1S/C10H15NO5/c1-8(12)16-7-10(11(14)15)6-4-2-3-5-9(10)13/h2-7H2,1H3
InChI Key:
SQJZZISHMUKPEQ-UHFFFAOYSA-N
SMILES:
CC(=O)OCC1(CCCCCC1=O)[N+](=O)[O-]
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.232g/mol
Monoisotopic Mass:
229.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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