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113770-02-8 | Isobenzofuran, octahydro-1,1,3,3-tetraphenyl-
CAS No: 113770-02-8 Catalog No: AG0009MY MDL No:
Product Description
Catalog Number:
AG0009MY
Chemical Name:
Isobenzofuran, octahydro-1,1,3,3-tetraphenyl-
CAS Number:
113770-02-8
Molecular Formula:
C32H30O
Molecular Weight:
430.5800
IUPAC Name:
1,1,3,3-tetraphenyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran
InChI:
InChI=1S/C32H30O/c1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(33-31,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29-30H,13-14,23-24H2
InChI Key:
MNAWYNDOCLRYLP-UHFFFAOYSA-N
SMILES:
C1CCC2C(C1)C(OC2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.23g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.591g/mol
Monoisotopic Mass:
430.23g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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