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85524-76-1 | 2-Propen-1-one, 1-(4,5-dimethoxy-2-methylphenyl)-2-phenyl-
CAS No: 85524-76-1 Catalog No: AG004USX MDL No:
Product Description
Catalog Number:
AG004USX
Chemical Name:
2-Propen-1-one, 1-(4,5-dimethoxy-2-methylphenyl)-2-phenyl-
CAS Number:
85524-76-1
Molecular Formula:
C18H18O3
Molecular Weight:
282.3337
IUPAC Name:
1-(4,5-dimethoxy-2-methylphenyl)-2-phenylprop-2-en-1-one
InChI:
InChI=1S/C18H18O3/c1-12-10-16(20-3)17(21-4)11-15(12)18(19)13(2)14-8-6-5-7-9-14/h5-11H,2H2,1,3-4H3
InChI Key:
FLYXWUWWZQCMKA-UHFFFAOYSA-N
SMILES:
COc1cc(c(cc1OC)C)C(=O)C(=C)c1ccccc1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.339g/mol
Monoisotopic Mass:
282.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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