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188886-02-4 | [1,1'-Biphenyl]-2,2'-diol, 3,3'-diethoxy-5,5'-bis[(4-hydroxyphenyl)methyl]-
CAS No: 188886-02-4 Catalog No: AG002HG0 MDL No:
Product Description
Catalog Number:
AG002HG0
Chemical Name:
[1,1'-Biphenyl]-2,2'-diol, 3,3'-diethoxy-5,5'-bis[(4-hydroxyphenyl)methyl]-
CAS Number:
188886-02-4
Molecular Formula:
C30H30O6
Molecular Weight:
486.5556
IUPAC Name:
2-ethoxy-6-[3-ethoxy-2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]-4-[(4-hydroxyphenyl)methyl]phenol
InChI:
InChI=1S/C30H30O6/c1-3-35-27-17-21(13-19-5-9-23(31)10-6-19)15-25(29(27)33)26-16-22(18-28(30(26)34)36-4-2)14-20-7-11-24(32)12-8-20/h5-12,15-18,31-34H,3-4,13-14H2,1-2H3
InChI Key:
DHAVCVBKBITDLV-UHFFFAOYSA-N
SMILES:
CCOc1cc(Cc2ccc(cc2)O)cc(c1O)c1cc(Cc2ccc(cc2)O)cc(c1O)OCC
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.204g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
486.564g/mol
Monoisotopic Mass:
486.204g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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