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178999-43-4 | 7-Benzothiazolecarboxylic acid, 2,3-dihydro-2-oxo-
CAS No: 178999-43-4 Catalog No: AG0026NT MDL No:
Product Description
Catalog Number:
AG0026NT
Chemical Name:
7-Benzothiazolecarboxylic acid, 2,3-dihydro-2-oxo-
CAS Number:
178999-43-4
Molecular Formula:
C8H5NO3S
Molecular Weight:
195.1952
IUPAC Name:
2-oxo-3H-1,3-benzothiazole-7-carboxylic acid
InChI:
InChI=1S/C8H5NO3S/c10-7(11)4-2-1-3-5-6(4)13-8(12)9-5/h1-3H,(H,9,12)(H,10,11)
InChI Key:
NNRDLLHIVQJWMH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1sc(=O)[nH]2
Properties
Complexity:
256
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:
4
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:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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