2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylic acid


Chemical Name: 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CAS Number: 312940-43-5
Product Number: AG019O70(AGN-PC-0JW0M2)
Synonyms:
MDL No: MFCD01958326
Molecular Formula: C12H17NO3S
Molecular Weight: 255.3333

Identification/Properties


Computed Properties
Molecular Weight:
255.332g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
255.093g/mol
Monoisotopic Mass:
255.093g/mol
Topological Polar Surface Area:
94.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
324
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


NMR Spectrum


Other Analytical Data


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