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137580-98-4 | 2-Propen-1-one, 1-(3,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)-
CAS No: 137580-98-4 Catalog No: AG0013L5 MDL No:
Product Description
Catalog Number:
AG0013L5
Chemical Name:
2-Propen-1-one, 1-(3,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)-
CAS Number:
137580-98-4
Molecular Formula:
C17H16O4
Molecular Weight:
284.3065
IUPAC Name:
1-(3,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C17H16O4/c1-20-16-10-6-13(11-17(16)21-2)15(19)9-5-12-3-7-14(18)8-4-12/h3-11,18H,1-2H3
InChI Key:
HQNPNDMBXWMBLJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=O)C=Cc1ccc(cc1)O
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.311g/mol
Monoisotopic Mass:
284.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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