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178445-80-2 | 2-Propen-1-one, 3-(3,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)-, (2E)-
CAS No: 178445-80-2 Catalog No: AG00262F MDL No:MFCD06245366
Product Description
Catalog Number:
AG00262F
Chemical Name:
2-Propen-1-one, 3-(3,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)-, (2E)-
CAS Number:
178445-80-2
Molecular Formula:
C17H16O4
Molecular Weight:
284.3065
MDL Number:
MFCD06245366
IUPAC Name:
(E)-3-(3,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C17H16O4/c1-20-16-9-7-12(10-17(16)21-2)6-8-15(19)13-4-3-5-14(18)11-13/h3-11,18H,1-2H3/b8-6+
InChI Key:
INUGQAHOPUVTAQ-SOFGYWHQSA-N
SMILES:
COc1cc(/C=C/C(=O)c2cccc(c2)O)ccc1OC
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
3.3
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