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88692-04-0 | 1H,3H-Thieno[3,4-c]furan-1,3-dione, tetrahydro-4,4-diphenyl-
CAS No: 88692-04-0 Catalog No: AG0046MR MDL No:
Product Description
Catalog Number:
AG0046MR
Chemical Name:
1H,3H-Thieno[3,4-c]furan-1,3-dione, tetrahydro-4,4-diphenyl-
CAS Number:
88692-04-0
Molecular Formula:
C18H14O3S
Molecular Weight:
310.3670
IUPAC Name:
4,4-diphenyl-6,6a-dihydro-3aH-thieno[3,4-c]furan-1,3-dione
InChI:
InChI=1S/C18H14O3S/c19-16-14-11-22-18(15(14)17(20)21-16,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChI Key:
XKUSSTFRRKTINJ-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2C1C(SC2)(c1ccccc1)c1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.066g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.367g/mol
Monoisotopic Mass:
310.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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