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Home > Nitro Compounds > 288155-33-9
288155-33-9 | 1,3-Cyclohexanedione, 5,5-dimethyl-2-[(4-nitrophenyl)methylene]-
CAS No: 288155-33-9 Catalog No: AG002WMJ MDL No:
Product Description
Catalog Number:
AG002WMJ
Chemical Name:
1,3-Cyclohexanedione, 5,5-dimethyl-2-[(4-nitrophenyl)methylene]-
CAS Number:
288155-33-9
Molecular Formula:
C15H15NO4
Molecular Weight:
273.2839
IUPAC Name:
5,5-dimethyl-2-[(4-nitrophenyl)methylidene]cyclohexane-1,3-dione
InChI:
InChI=1S/C15H15NO4/c1-15(2)8-13(17)12(14(18)9-15)7-10-3-5-11(6-4-10)16(19)20/h3-7H,8-9H2,1-2H3
InChI Key:
BOXFKQNPDYIMFF-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC(=O)C1=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.288g/mol
Monoisotopic Mass:
273.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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