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350506-90-0 | Isothiazole, 2,3-dihydro-2-(1-oxopropyl)-, 1,1-dioxide (9CI)
CAS No: 350506-90-0 Catalog No: AG00CZ2Z MDL No:
Product Description
Catalog Number:
AG00CZ2Z
Chemical Name:
Isothiazole, 2,3-dihydro-2-(1-oxopropyl)-, 1,1-dioxide (9CI)
CAS Number:
350506-90-0
IUPAC Name:
1-(1,1-dioxo-3H-1,2-thiazol-2-yl)propan-1-one
InChI:
InChI=1S/C6H9NO3S/c1-2-6(8)7-4-3-5-11(7,9)10/h3,5H,2,4H2,1H3
InChI Key:
XITYHHNUGAKXLR-UHFFFAOYSA-N
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.202g/mol
Monoisotopic Mass:
175.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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