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Home > Nitro Compounds > 86572-26-1
86572-26-1 | Cyclohexanone, 2-nitro-2-(3-oxobutyl)-
CAS No: 86572-26-1 Catalog No: AG004LFC MDL No:
Product Description
Catalog Number:
AG004LFC
Chemical Name:
Cyclohexanone, 2-nitro-2-(3-oxobutyl)-
CAS Number:
86572-26-1
Molecular Formula:
C10H15NO4
Molecular Weight:
213.2304
IUPAC Name:
2-nitro-2-(3-oxobutyl)cyclohexan-1-one
InChI:
InChI=1S/C10H15NO4/c1-8(12)5-7-10(11(14)15)6-3-2-4-9(10)13/h2-7H2,1H3
InChI Key:
QDYDLCCYDMTWCU-UHFFFAOYSA-N
SMILES:
CC(=O)CCC1(CCCCC1=O)[N+](=O)[O-]
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.233g/mol
Monoisotopic Mass:
213.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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