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Home > Nitro Compounds > 77264-49-4
77264-49-4 | 2-Propen-1-one, 1-(4-ethoxyphenyl)-3-(4-nitrophenyl)-
CAS No: 77264-49-4 Catalog No: AG005O74 MDL No:
Product Description
Catalog Number:
AG005O74
Chemical Name:
2-Propen-1-one, 1-(4-ethoxyphenyl)-3-(4-nitrophenyl)-
CAS Number:
77264-49-4
Molecular Formula:
C17H15NO4
Molecular Weight:
297.3053
IUPAC Name:
1-(4-ethoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C17H15NO4/c1-2-22-16-10-6-14(7-11-16)17(19)12-5-13-3-8-15(9-4-13)18(20)21/h3-12H,2H2,1H3
InChI Key:
RQKNFITTYZAZCF-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C(=O)C=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.31g/mol
Monoisotopic Mass:
297.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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