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85524-68-1 | 2-Propen-1-one, 1-(3,4-dimethoxyphenyl)-2-phenyl-
CAS No: 85524-68-1 Catalog No: AG004USZ MDL No:
Product Description
Catalog Number:
AG004USZ
Chemical Name:
2-Propen-1-one, 1-(3,4-dimethoxyphenyl)-2-phenyl-
CAS Number:
85524-68-1
Molecular Formula:
C17H16O3
Molecular Weight:
268.3071
IUPAC Name:
1-(3,4-dimethoxyphenyl)-2-phenylprop-2-en-1-one
InChI:
InChI=1S/C17H16O3/c1-12(13-7-5-4-6-8-13)17(18)14-9-10-15(19-2)16(11-14)20-3/h4-11H,1H2,2-3H3
InChI Key:
UEUYKKRLKNBKFV-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=O)C(=C)c1ccccc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.312g/mol
Monoisotopic Mass:
268.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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