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Home > Nitro Compounds > 141941-45-9
141941-45-9 | Cyclohexanone, 2,2'-[(4-nitrophenyl)methylene]bis-
CAS No: 141941-45-9 Catalog No: AG001HG2 MDL No:
Product Description
Catalog Number:
AG001HG2
Chemical Name:
Cyclohexanone, 2,2'-[(4-nitrophenyl)methylene]bis-
CAS Number:
141941-45-9
Molecular Formula:
C19H23NO4
Molecular Weight:
329.3902
IUPAC Name:
2-[(4-nitrophenyl)-(2-oxocyclohexyl)methyl]cyclohexan-1-one
InChI:
InChI=1S/C19H23NO4/c21-17-7-3-1-5-15(17)19(16-6-2-4-8-18(16)22)13-9-11-14(12-10-13)20(23)24/h9-12,15-16,19H,1-8H2
InChI Key:
JPXQLMFEKSGKAK-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1C(C1CCCCC1=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.396g/mol
Monoisotopic Mass:
329.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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