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Home > Other Heterocycles > 16065-50-2
16065-50-2 | 7-Thiabicyclo[4.2.0]octa-1,3,5-triene, 7,7-dioxide
CAS No: 16065-50-2 Catalog No: AG001S3U MDL No:
Product Description
Catalog Number:
AG001S3U
Chemical Name:
7-Thiabicyclo[4.2.0]octa-1,3,5-triene, 7,7-dioxide
CAS Number:
16065-50-2
Molecular Formula:
C7H6O2S
Molecular Weight:
154.1863
IUPAC Name:
7λ6-thiabicyclo[4.2.0]octa-1,3,5-triene 7,7-dioxide
InChI:
InChI=1S/C7H6O2S/c8-10(9)5-6-3-1-2-4-7(6)10/h1-4H,5H2
InChI Key:
MOLVQFOPTPGHIG-UHFFFAOYSA-N
SMILES:
O=S1(=O)Cc2c1cccc2
NSC Number:
309699
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.183g/mol
Monoisotopic Mass:
154.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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