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77-09-8 | 3,3-Bis(4-hydroxyphenyl);isobenzofuran-1(3H);-one
CAS No: 77-09-8 Catalog No: AG003TOB MDL No:MFCD00005913
Product Description
Catalog Number:
AG003TOB
Chemical Name:
3,3-Bis(4-hydroxyphenyl);isobenzofuran-1(3H);-one
CAS Number:
77-09-8
Molecular Formula:
C20H14O4
Molecular Weight:
318.3228
MDL Number:
MFCD00005913
IUPAC Name:
3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
InChI:
InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
InChI Key:
KJFMBFZCATUALV-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O
EC Number:
201-004-7
UNII:
6QK969R2IF
UN Number:
1993
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.089g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.328g/mol
Monoisotopic Mass:
318.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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