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113560-97-7 | 1(3H)-Isobenzofuranone, 4,5,6,7-tetraphenyl-
CAS No: 113560-97-7 Catalog No: AG0008ZU MDL No:
Product Description
Catalog Number:
AG0008ZU
Chemical Name:
1(3H)-Isobenzofuranone, 4,5,6,7-tetraphenyl-
CAS Number:
113560-97-7
Molecular Formula:
C32H22O2
Molecular Weight:
438.5159
IUPAC Name:
4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one
InChI:
InChI=1S/C32H22O2/c33-32-31-26(21-34-32)27(22-13-5-1-6-14-22)28(23-15-7-2-8-16-23)29(24-17-9-3-10-18-24)30(31)25-19-11-4-12-20-25/h1-20H,21H2
InChI Key:
XASKKQPVPIMSRV-UHFFFAOYSA-N
SMILES:
O=C1OCc2c1c(c1ccccc1)c(c1ccccc1)c(c2c1ccccc1)c1ccccc1
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.162g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.526g/mol
Monoisotopic Mass:
438.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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