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7153-97-1 | 3-[4-(benzyloxy)-3-methoxybenzylidene]-5-(3,4-dimethoxyphenyl)furan-2(3h)-one
CAS No: 7153-97-1 Catalog No: AG005GS6 MDL No:
Product Description
Catalog Number:
AG005GS6
Chemical Name:
3-[4-(benzyloxy)-3-methoxybenzylidene]-5-(3,4-dimethoxyphenyl)furan-2(3h)-one
CAS Number:
7153-97-1
Molecular Formula:
C27H24O6
Molecular Weight:
444.4759
IUPAC Name:
5-(3,4-dimethoxyphenyl)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]furan-2-one
InChI:
InChI=1S/C27H24O6/c1-29-22-12-10-20(15-26(22)31-3)24-16-21(27(28)33-24)13-19-9-11-23(25(14-19)30-2)32-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3
InChI Key:
GGVCXOUKAXNJKR-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OCc1ccccc1)C=C1C=C(OC1=O)c1ccc(c(c1)OC)OC
Properties
Complexity:
709
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.157g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
444.483g/mol
Monoisotopic Mass:
444.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.4
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