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Home > Nitro Compounds > 115043-98-6
115043-98-6 | 2-Propen-1-one, 1-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)-
CAS No: 115043-98-6 Catalog No: AG000FRC MDL No:
Product Description
Catalog Number:
AG000FRC
Chemical Name:
2-Propen-1-one, 1-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)-
CAS Number:
115043-98-6
Molecular Formula:
C17H15NO5
Molecular Weight:
313.3047
IUPAC Name:
1-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C17H15NO5/c1-22-14-7-8-15(17(11-14)23-2)16(19)9-6-12-4-3-5-13(10-12)18(20)21/h3-11H,1-2H3
InChI Key:
ITRAGDODVWDDEE-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OC)C(=O)C=Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.309g/mol
Monoisotopic Mass:
313.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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