Thieno[2,3-b]pyridine-2-carboxylic acid


Chemical Name: Thieno[2,3-b]pyridine-2-carboxylic acid
CAS Number: 59944-76-2
Product Number: AG00EDR5(AGN-PC-0LX5D3)
Synonyms:
MDL No:
Molecular Formula: C8H5NO2S
Molecular Weight: 179.1958

Identification/Properties


Computed Properties
Molecular Weight:
179.193g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
179.004g/mol
Monoisotopic Mass:
179.004g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
198
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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