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87631-73-0 | 2H-Cyclopent[d]isothiazol-3(4H)-one, 5,6-dihydro-, 1,1-dioxide
CAS No: 87631-73-0 Catalog No: AG004LE8 MDL No:
Product Description
Catalog Number:
AG004LE8
Chemical Name:
2H-Cyclopent[d]isothiazol-3(4H)-one, 5,6-dihydro-, 1,1-dioxide
CAS Number:
87631-73-0
Molecular Formula:
C6H7NO3S
Molecular Weight:
173.1897
IUPAC Name:
1,1-dioxo-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one
InChI:
InChI=1S/C6H7NO3S/c8-6-4-2-1-3-5(4)11(9,10)7-6/h1-3H2,(H,7,8)
InChI Key:
ZWPADZTZAWRRIC-UHFFFAOYSA-N
SMILES:
O=C1NS(=O)(=O)C2=C1CCC2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.186g/mol
Monoisotopic Mass:
173.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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