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Home > Nitro Compounds > 89406-18-8
89406-18-8 | 2-Propen-1-one, 3-(2-hydroxy-3-nitrophenyl)-1-phenyl-
CAS No: 89406-18-8 Catalog No: AG004NDM MDL No:
Product Description
Catalog Number:
AG004NDM
Chemical Name:
2-Propen-1-one, 3-(2-hydroxy-3-nitrophenyl)-1-phenyl-
CAS Number:
89406-18-8
Molecular Formula:
C15H11NO4
Molecular Weight:
269.2521
IUPAC Name:
3-(2-hydroxy-3-nitrophenyl)-1-phenylprop-2-en-1-one
InChI:
InChI=1S/C15H11NO4/c17-14(11-5-2-1-3-6-11)10-9-12-7-4-8-13(15(12)18)16(19)20/h1-10,18H
InChI Key:
LVNIFZAVAASJRE-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)C=Cc1cccc(c1O)[N+](=O)[O-]
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.256g/mol
Monoisotopic Mass:
269.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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