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178316-76-2

178316-76-2 | 3-Isothiazolecarboxylic acid, 4-hydroxy-

CAS No: 178316-76-2 Catalog No: AG0025Y3 MDL No:

Product Description

Catalog Number:
AG0025Y3
Chemical Name:
3-Isothiazolecarboxylic acid, 4-hydroxy-
CAS Number:
178316-76-2
Molecular Formula:
C4H3NO3S
Molecular Weight:
145.1365
IUPAC Name:
4-hydroxy-1,2-thiazole-3-carboxylic acid
InChI:
InChI=1S/C4H3NO3S/c6-2-1-9-5-3(2)4(7)8/h1,6H,(H,7,8)
InChI Key:
LBJHLSZIKSJOJD-UHFFFAOYSA-N
SMILES:
OC(=O)c1nscc1O

Properties

Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.983g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
145.132g/mol
Monoisotopic Mass:
144.983g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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