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Home > Nitro Compounds > 55579-75-4
55579-75-4 | 5-(4-Nitrophenyl)cyclohexane-1,3-dione
CAS No: 55579-75-4 Catalog No: AG01DODG MDL No:MFCD12963761
Product Description
Catalog Number:
AG01DODG
Chemical Name:
5-(4-Nitrophenyl)cyclohexane-1,3-dione
CAS Number:
55579-75-4
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
MDL Number:
MFCD12963761
IUPAC Name:
5-(4-nitrophenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C12H11NO4/c14-11-5-9(6-12(15)7-11)8-1-3-10(4-2-8)13(16)17/h1-4,9H,5-7H2
InChI Key:
LQMGHIOOSOQCQA-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)CC(C1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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