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Home > Nitro Compounds > 24845-09-8
24845-09-8 | 2-Propen-1-one, 1-(4-hydroxyphenyl)-3-(4-nitrophenyl)-2-phenyl-
CAS No: 24845-09-8 Catalog No: AG002PN3 MDL No:
Product Description
Catalog Number:
AG002PN3
Chemical Name:
2-Propen-1-one, 1-(4-hydroxyphenyl)-3-(4-nitrophenyl)-2-phenyl-
CAS Number:
24845-09-8
Molecular Formula:
C21H15NO4
Molecular Weight:
345.3481
IUPAC Name:
1-(4-hydroxyphenyl)-3-(4-nitrophenyl)-2-phenylprop-2-en-1-one
InChI:
InChI=1S/C21H15NO4/c23-19-12-8-17(9-13-19)21(24)20(16-4-2-1-3-5-16)14-15-6-10-18(11-7-15)22(25)26/h1-14,23H
InChI Key:
NJYHQCFWJKIUEZ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(=O)C(=Cc1ccc(cc1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.1g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.354g/mol
Monoisotopic Mass:
345.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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