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143113-56-8 | 2(3H)-Benzothiazolone, 6-(2-hydroxyethoxy)-
CAS No: 143113-56-8 Catalog No: AG007Z48 MDL No:
Product Description
Catalog Number:
AG007Z48
Chemical Name:
2(3H)-Benzothiazolone, 6-(2-hydroxyethoxy)-
CAS Number:
143113-56-8
Molecular Formula:
C9H9NO3S
Molecular Weight:
211.2377
IUPAC Name:
6-(2-hydroxyethoxy)-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C9H9NO3S/c11-3-4-13-6-1-2-7-8(5-6)14-9(12)10-7/h1-2,5,11H,3-4H2,(H,10,12)
InChI Key:
VKWIBCNZVACNBF-UHFFFAOYSA-N
SMILES:
OCCOc1ccc2c(c1)sc(=O)[nH]2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.235g/mol
Monoisotopic Mass:
211.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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