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25156-38-1

25156-38-1 | 2,1-Benzoxathiin-4(3H)-one, 1,1-dioxide

CAS No: 25156-38-1 Catalog No: AG002QOH MDL No:

Product Description

Catalog Number:
AG002QOH
Chemical Name:
2,1-Benzoxathiin-4(3H)-one, 1,1-dioxide
CAS Number:
25156-38-1
Molecular Formula:
C8H6O4S
Molecular Weight:
198.1958
IUPAC Name:
1,1-dioxo-2,1λ6-benzoxathiin-4-one
InChI:
InChI=1S/C8H6O4S/c9-7-5-12-13(10,11)8-4-2-1-3-6(7)8/h1-4H,5H2
InChI Key:
HCPHOFKCVWENMQ-UHFFFAOYSA-N
SMILES:
O=C1COS(=O)(=O)c2c1cccc2

Properties

Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.999g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.192g/mol
Monoisotopic Mass:
197.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

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