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188759-70-8 | 1,2-Oxathiin, 4,6-diphenyl-, 2,2-dioxide
CAS No: 188759-70-8 Catalog No: AG002H9V MDL No:
Product Description
Catalog Number:
AG002H9V
Chemical Name:
1,2-Oxathiin, 4,6-diphenyl-, 2,2-dioxide
CAS Number:
188759-70-8
Molecular Formula:
C16H12O3S
Molecular Weight:
284.3297
IUPAC Name:
4,6-diphenyloxathiine 2,2-dioxide
InChI:
InChI=1S/C16H12O3S/c17-20(18)12-15(13-7-3-1-4-8-13)11-16(19-20)14-9-5-2-6-10-14/h1-12H
InChI Key:
DJIYNZGHVPHYHS-UHFFFAOYSA-N
SMILES:
O=S1(=O)OC(=CC(=C1)c1ccccc1)c1ccccc1
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.051g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.329g/mol
Monoisotopic Mass:
284.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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