5-Thiazolecarboxylic acid, 2-(3-formyl-4-hydroxyphenyl)-4-methyl-, ethylester


Chemical Name: 5-Thiazolecarboxylic acid, 2-(3-formyl-4-hydroxyphenyl)-4-methyl-, ethylester
CAS Number: 161798-01-2
Product Number: AG001VVX(AGN-PC-0Q84UK)
Synonyms:
MDL No:
Molecular Formula: C14H13NO4S
Molecular Weight: 291.3223

Identification/Properties


Properties
MP:
110-115ºC
BP:
446.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
291.321g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
291.057g/mol
Monoisotopic Mass:
291.057g/mol
Topological Polar Surface Area:
105A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
365
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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