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41335-57-3 | 2-(2-propynyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
CAS No: 41335-57-3 Catalog No: AG00D6RV MDL No:
Product Description
Catalog Number:
AG00D6RV
Chemical Name:
2-(2-propynyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
CAS Number:
41335-57-3
IUPAC Name:
1,1-dioxo-2-prop-2-ynyl-1,2-benzothiazol-3-one
InChI:
InChI=1S/C10H7NO3S/c1-2-7-11-10(12)8-5-3-4-6-9(8)15(11,13)14/h1,3-6H,7H2
InChI Key:
BEJGLFVJZIJLDQ-UHFFFAOYSA-N
EC Number:
255-323-1
NSC Number:
689150
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.23g/mol
Monoisotopic Mass:
221.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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