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1017488-71-9

1017488-71-9 | Potassium 2-amino-1,3-benzothiazole-6-carboxylate

CAS No: 1017488-71-9 Catalog No: AG01FMIL MDL No:MFCD08137419

Product Description

Catalog Number:
AG01FMIL
Chemical Name:
Potassium 2-amino-1,3-benzothiazole-6-carboxylate
CAS Number:
1017488-71-9
Molecular Formula:
C8H5KN2O2S
Molecular Weight:
232.3008
MDL Number:
MFCD08137419
IUPAC Name:
potassium;2-amino-1,3-benzothiazole-6-carboxylate
InChI:
InChI=1S/C8H6N2O2S.K/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8;/h1-3H,(H2,9,10)(H,11,12);/q;+1/p-1
InChI Key:
PUHVJZUDWJGXCF-UHFFFAOYSA-M
SMILES:
Nc1nc2c(s1)cc(cc2)C(=O)[O-].[K+]

Properties

Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.971g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.298g/mol
Monoisotopic Mass:
231.971g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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