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20929-46-8 | 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,7-diphenyl-
CAS No: 20929-46-8 Catalog No: AG002K6D MDL No:
Product Description
Catalog Number:
AG002K6D
Chemical Name:
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,7-diphenyl-
CAS Number:
20929-46-8
Molecular Formula:
C20H16O3
Molecular Weight:
304.3392
IUPAC Name:
4,7-diphenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
InChI:
InChI=1S/C20H16O3/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/h1-12,15-18H
InChI Key:
QBTDNXVTAHQRRU-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2C1C(C=CC2c1ccccc1)c1ccccc1
NSC Number:
143771
Properties
Complexity:
453
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:
0
Isotope Atom Count:
0
Molecular Weight:
304.345g/mol
Monoisotopic Mass:
304.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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