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Home > Other Heterocycles > 92688-79-4
92688-79-4 | 8-THIABICYCLO[4.3.0]NON-3-ENE 8,8-DIOXIDE
CAS No: 92688-79-4 Catalog No: AG006EX9 MDL No:
Product Description
Catalog Number:
AG006EX9
Chemical Name:
8-THIABICYCLO[4.3.0]NON-3-ENE 8,8-DIOXIDE
CAS Number:
92688-79-4
Molecular Formula:
C8H12O2S
Molecular Weight:
172.2447
IUPAC Name:
1,3,3a,4,7,7a-hexahydro-2-benzothiophene 2,2-dioxide
InChI:
InChI=1S/C8H12O2S/c9-11(10)5-7-3-1-2-4-8(7)6-11/h1-2,7-8H,3-6H2
InChI Key:
VSEMXKYLUQVDRJ-UHFFFAOYSA-N
SMILES:
O=S1(=O)CC2C(C1)CC=CC2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.242g/mol
Monoisotopic Mass:
172.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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