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1015070-97-9

1015070-97-9 | 1,2-Benzisothiazole-6-carboxylic acid

CAS No: 1015070-97-9 Catalog No: AG0004O5 MDL No:MFCD19687659

Product Description

Catalog Number:
AG0004O5
Chemical Name:
1,2-Benzisothiazole-6-carboxylic acid
CAS Number:
1015070-97-9
Molecular Formula:
C8H5NO2S
Molecular Weight:
179.1958
MDL Number:
MFCD19687659
IUPAC Name:
1,2-benzothiazole-6-carboxylic acid
InChI:
InChI=1S/C8H5NO2S/c10-8(11)5-1-2-6-4-9-12-7(6)3-5/h1-4H,(H,10,11)
InChI Key:
LDZASEWVKCRYOE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)snc2

Properties

Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.004g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.193g/mol
Monoisotopic Mass:
179.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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