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102001-75-2 | Phenol, 4,4'-(3(2H)-benzofuranylidene)bis- (9CI)
CAS No: 102001-75-2 Catalog No: AG0006AZ MDL No:
Product Description
Catalog Number:
AG0006AZ
Chemical Name:
Phenol, 4,4'-(3(2H)-benzofuranylidene)bis- (9CI)
CAS Number:
102001-75-2
Molecular Formula:
C20H16O3
Molecular Weight:
304.3392
IUPAC Name:
4-[3-(4-hydroxyphenyl)-2H-1-benzofuran-3-yl]phenol
InChI:
InChI=1S/C20H16O3/c21-16-9-5-14(6-10-16)20(15-7-11-17(22)12-8-15)13-23-19-4-2-1-3-18(19)20/h1-12,21-22H,13H2
InChI Key:
ZHFUIXYQTLUHPW-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1(COc2c1cccc2)c1ccc(cc1)O
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.11g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.345g/mol
Monoisotopic Mass:
304.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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