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6343-81-3

6343-81-3 | 2-(2-hydroxyethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

CAS No: 6343-81-3 Catalog No: AG00EYVZ MDL No:

Product Description

Catalog Number:
AG00EYVZ
Chemical Name:
2-(2-hydroxyethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
CAS Number:
6343-81-3
Molecular Formula:
C9H9NO4S
Molecular Weight:
227.2371
IUPAC Name:
2-(2-hydroxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one
InChI:
InChI=1S/C9H9NO4S/c11-6-5-10-9(12)7-3-1-2-4-8(7)15(10,13)14/h1-4,11H,5-6H2
InChI Key:
CJWAPCSQEWUZAE-UHFFFAOYSA-N
SMILES:
OCCN1C(=O)c2c(S1(=O)=O)cccc2
EC Number:
228-743-8
NSC Number:
49755

Properties

Complexity:
359  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.025g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.234g/mol
Monoisotopic Mass:
227.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

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