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13745-26-1 | 2-Propen-1-one, 1-(2-hydroxy-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-
CAS No: 13745-26-1 Catalog No: AG0013AC MDL No:
Product Description
Catalog Number:
AG0013AC
Chemical Name:
2-Propen-1-one, 1-(2-hydroxy-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-
CAS Number:
13745-26-1
Molecular Formula:
C19H20O6
Molecular Weight:
344.3585
IUPAC Name:
1-(2-hydroxy-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C19H20O6/c1-22-13-6-7-14(16(21)11-13)15(20)8-5-12-9-17(23-2)19(25-4)18(10-12)24-3/h5-11,21H,1-4H3
InChI Key:
NHIYSMJCFMKYPL-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)O)C(=O)C=Cc1cc(OC)c(c(c1)OC)OC
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.126g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.363g/mol
Monoisotopic Mass:
344.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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