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881178-94-5 | 2H-1-Benzopyran-2-one, 3,3'-[(phenylmethylene)bis(oxy)]bis[4-hydroxy-
CAS No: 881178-94-5 Catalog No: AG004IH9 MDL No:
Product Description
Catalog Number:
AG004IH9
Chemical Name:
2H-1-Benzopyran-2-one, 3,3'-[(phenylmethylene)bis(oxy)]bis[4-hydroxy-
CAS Number:
881178-94-5
Molecular Formula:
C25H16O8
Molecular Weight:
444.3897
IUPAC Name:
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)oxy-phenylmethoxy]chromen-2-one
InChI:
InChI=1S/C25H16O8/c26-19-15-10-4-6-12-17(15)30-23(28)21(19)32-25(14-8-2-1-3-9-14)33-22-20(27)16-11-5-7-13-18(16)31-24(22)29/h1-13,25-27H
InChI Key:
HLLQQBQCRWSMLW-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2c(c1OC(c1ccccc1)Oc1c(=O)oc2c(c1O)cccc2)O
Properties
Complexity:
779
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.085g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
444.395g/mol
Monoisotopic Mass:
444.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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