4-Thiazolecarboxylic acid, 2-[4-(1-methylethyl)phenyl]-


Chemical Name: 4-Thiazolecarboxylic acid, 2-[4-(1-methylethyl)phenyl]-
CAS Number: 115311-26-7
Product Number: AG019L3C(AGN-PC-00PZQK)
Synonyms:
MDL No: MFCD07375281
Molecular Formula: C13H13NO2S
Molecular Weight: 247.3128

Identification/Properties


Computed Properties
Molecular Weight:
247.312g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
247.067g/mol
Monoisotopic Mass:
247.067g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
275
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

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NMR Spectrum


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