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57373-20-3 | 2-Methyl-3(2H)-isothiazolone, calcium chloride complex
CAS No: 57373-20-3 Catalog No: AG00F13G MDL No:
Product Description
Catalog Number:
AG00F13G
Chemical Name:
2-Methyl-3(2H)-isothiazolone, calcium chloride complex
CAS Number:
57373-20-3
IUPAC Name:
calcium;2-methyl-1,2-thiazol-3-one;dichloride
InChI:
InChI=1S/C4H5NOS.Ca.2ClH/c1-5-4(6)2-3-7-5;;;/h2-3H,1H3;;2*1H/q;+2;;/p-2
InChI Key:
ZNUJLBVUZKNDOW-UHFFFAOYSA-L
UNII:
VHI00378X9
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.909g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.128g/mol
Monoisotopic Mass:
224.909g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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