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1162-64-7 | 1,3-Isobenzofurandione, 4,7-diphenyl-
CAS No: 1162-64-7 Catalog No: AG000BVZ MDL No:
Product Description
Catalog Number:
AG000BVZ
Chemical Name:
1,3-Isobenzofurandione, 4,7-diphenyl-
CAS Number:
1162-64-7
Molecular Formula:
C20H12O3
Molecular Weight:
300.3075
IUPAC Name:
4,7-diphenyl-2-benzofuran-1,3-dione
InChI:
InChI=1S/C20H12O3/c21-19-17-15(13-7-3-1-4-8-13)11-12-16(18(17)20(22)23-19)14-9-5-2-6-10-14/h1-12H
InChI Key:
SLWAADXFJSKGOJ-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c1c(ccc2c1ccccc1)c1ccccc1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.079g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.313g/mol
Monoisotopic Mass:
300.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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