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21344-50-3 | 3-(2-hydroxyethyl)benzothiazol-2-one
CAS No: 21344-50-3 Catalog No: AG007QS2 MDL No:
Product Description
Catalog Number:
AG007QS2
Chemical Name:
3-(2-hydroxyethyl)benzothiazol-2-one
CAS Number:
21344-50-3
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
IUPAC Name:
3-(2-hydroxyethyl)-1,3-benzothiazol-2-one
InChI:
InChI=1S/C9H9NO2S/c11-6-5-10-7-3-1-2-4-8(7)13-9(10)12/h1-4,11H,5-6H2
InChI Key:
WBUHYKDOHNEIEL-UHFFFAOYSA-N
SMILES:
OCCn1c(=O)sc2c1cccc2
NSC Number:
116338
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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