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Home > Nitro Compounds > 762243-24-3
762243-24-3 | 5-(3-Nitrophenyl)cyclohexane-1,3-dione
CAS No: 762243-24-3 Catalog No: AG01EXBJ MDL No:
Product Description
Catalog Number:
AG01EXBJ
Chemical Name:
5-(3-Nitrophenyl)cyclohexane-1,3-dione
CAS Number:
762243-24-3
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
5-(3-nitrophenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C12H11NO4/c14-11-5-9(6-12(15)7-11)8-2-1-3-10(4-8)13(16)17/h1-4,9H,5-7H2
InChI Key:
PEJXMVITLPCURR-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)CC(C1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
331
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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