4-Thiazolecarboxylic acid, 2-(3-pyridinyl)-


Chemical Name: 4-Thiazolecarboxylic acid, 2-(3-pyridinyl)-
CAS Number: 39067-29-3
Product Number: AG003F4G(AGN-PC-0JVOEL)
Synonyms:
MDL No:
Molecular Formula: C9H6N2O2S
Molecular Weight: 206.2211

Identification/Properties


Properties
MP:
283 °C
BP:
460.3 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
206.219g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
206.015g/mol
Monoisotopic Mass:
206.015g/mol
Topological Polar Surface Area:
91.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
225
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:
H315-H319-H335
Precautionary Statements:
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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