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18778-37-5 | 2-Propen-1-one, 3-(2-hydroxy-3-methoxyphenyl)-1-(4-methoxyphenyl)-
CAS No: 18778-37-5 Catalog No: AG002GHB MDL No:
Product Description
Catalog Number:
AG002GHB
Chemical Name:
2-Propen-1-one, 3-(2-hydroxy-3-methoxyphenyl)-1-(4-methoxyphenyl)-
CAS Number:
18778-37-5
Molecular Formula:
C17H16O4
Molecular Weight:
284.3065
IUPAC Name:
(E)-3-(2-hydroxy-3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C17H16O4/c1-20-14-9-6-12(7-10-14)15(18)11-8-13-4-3-5-16(21-2)17(13)19/h3-11,19H,1-2H3/b11-8+
InChI Key:
IHMSMKWVSOUBTE-DHZHZOJOSA-N
SMILES:
COc1ccc(cc1)C(=O)C=Cc1cccc(c1O)OC
NSC Number:
139728
Properties
Complexity:
358
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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