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105338-19-0 | 1,2-Benzisothiazol-3(2H)-one, 2-(2-cyclohexen-1-yl)-, 1,1-dioxide
CAS No: 105338-19-0 Catalog No: AG007EUW MDL No:
Product Description
Catalog Number:
AG007EUW
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 2-(2-cyclohexen-1-yl)-, 1,1-dioxide
CAS Number:
105338-19-0
Molecular Formula:
C13H13NO3S
Molecular Weight:
263.3122
IUPAC Name:
2-cyclohex-2-en-1-yl-1,1-dioxo-1,2-benzothiazol-3-one
InChI:
InChI=1S/C13H13NO3S/c15-13-11-8-4-5-9-12(11)18(16,17)14(13)10-6-2-1-3-7-10/h2,4-6,8-10H,1,3,7H2
InChI Key:
YWKMVDVYWRSMJD-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2S(=O)(=O)N1C1CCCC=C1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.311g/mol
Monoisotopic Mass:
263.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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