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Home > Nitro Compounds > 89807-58-9
89807-58-9 | 2-Propen-1-one, 2-methyl-1-(3-nitrophenyl)-3-phenyl-
CAS No: 89807-58-9 Catalog No: AG003ZBD MDL No:
Product Description
Catalog Number:
AG003ZBD
Chemical Name:
2-Propen-1-one, 2-methyl-1-(3-nitrophenyl)-3-phenyl-
CAS Number:
89807-58-9
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
IUPAC Name:
2-methyl-1-(3-nitrophenyl)-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C16H13NO3/c1-12(10-13-6-3-2-4-7-13)16(18)14-8-5-9-15(11-14)17(19)20/h2-11H,1H3
InChI Key:
FTFOSLSBPZLRCM-UHFFFAOYSA-N
SMILES:
CC(=Cc1ccccc1)C(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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