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129058-50-0 | 2-Benzothiazolecarboxylic acid, 6-hydroxy-
CAS No: 129058-50-0 Catalog No: AG000YTK MDL No:
Product Description
Catalog Number:
AG000YTK
Chemical Name:
2-Benzothiazolecarboxylic acid, 6-hydroxy-
CAS Number:
129058-50-0
Molecular Formula:
C8H5NO3S
Molecular Weight:
195.1952
IUPAC Name:
6-hydroxy-1,3-benzothiazole-2-carboxylic acid
InChI:
InChI=1S/C8H5NO3S/c10-4-1-2-5-6(3-4)13-7(9-5)8(11)12/h1-3,10H,(H,11,12)
InChI Key:
XHWLNNUYRRZHSM-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)sc(n2)C(=O)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.192g/mol
Monoisotopic Mass:
194.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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