ethyl 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate


Chemical Name: ethyl 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
CAS Number: 161798-03-4
Product Number: AG001VVV(AGN-PC-0NCK7O)
Synonyms:
MDL No:
Molecular Formula: C18H21NO4S
Molecular Weight: 347.4286

Identification/Properties


Computed Properties
Molecular Weight:
347.429g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
8
Exact Mass:
347.119g/mol
Monoisotopic Mass:
347.119g/mol
Topological Polar Surface Area:
93.7A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
431
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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