2-[3-cyano-4-(3-hydroxy-2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid


Chemical Name: 2-[3-cyano-4-(3-hydroxy-2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CAS Number: 887945-96-2
Product Number: AG01CB8E(AGN-PC-0MU17F)
Synonyms:
MDL No:
Molecular Formula: C16H16N2O4S
Molecular Weight: 332.37424

Identification/Properties


Computed Properties
Molecular Weight:
332.374g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
6
Exact Mass:
332.083g/mol
Monoisotopic Mass:
332.083g/mol
Topological Polar Surface Area:
132A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
466
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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