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102078-28-4 | 2-Propen-1-one, 3-phenyl-1-(4,6,7-trimethoxy-5-benzofuranyl)-
CAS No: 102078-28-4 Catalog No: AG0006KZ MDL No:
Product Description
Catalog Number:
AG0006KZ
Chemical Name:
2-Propen-1-one, 3-phenyl-1-(4,6,7-trimethoxy-5-benzofuranyl)-
CAS Number:
102078-28-4
Molecular Formula:
C20H18O5
Molecular Weight:
338.3539
IUPAC Name:
3-phenyl-1-(4,6,7-trimethoxy-1-benzofuran-5-yl)prop-2-en-1-one
InChI:
InChI=1S/C20H18O5/c1-22-17-14-11-12-25-18(14)20(24-3)19(23-2)16(17)15(21)10-9-13-7-5-4-6-8-13/h4-12H,1-3H3
InChI Key:
RESASLAWUHZDGH-UHFFFAOYSA-N
SMILES:
COc1c(OC)c(C(=O)C=Cc2ccccc2)c(c2c1occ2)OC
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.115g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.359g/mol
Monoisotopic Mass:
338.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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