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6971-41-1 | 1,3-Isobenzofurandione,3a,7a-dihydro-4,5,6,7-tetraphenyl-
CAS No: 6971-41-1 Catalog No: AG005ISF MDL No:MFCD00023104
Product Description
Catalog Number:
AG005ISF
Chemical Name:
1,3-Isobenzofurandione,3a,7a-dihydro-4,5,6,7-tetraphenyl-
CAS Number:
6971-41-1
Molecular Formula:
C32H22O3
Molecular Weight:
454.5153
MDL Number:
MFCD00023104
IUPAC Name:
4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1,3-dione
InChI:
InChI=1S/C32H22O3/c33-31-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(30(29)32(34)35-31)24-19-11-4-12-20-24/h1-20,29-30H
InChI Key:
SDIBWMJFIDQLCK-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2C1C(=C(c1ccccc1)C(=C2c1ccccc1)c1ccccc1)c1ccccc1
EC Number:
230-197-0
NSC Number:
66518
Properties
Complexity:
799
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.157g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.525g/mol
Monoisotopic Mass:
454.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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