5-(2,4-dimethylphenyl)thiophene-2-carboxylic acid


Chemical Name: 5-(2,4-dimethylphenyl)thiophene-2-carboxylic acid
CAS Number: 1038729-21-3
Product Number: AG007FCX(AGN-PC-05FJ00)
Synonyms:
MDL No:
Molecular Formula: C13H12O2S
Molecular Weight: 232.2982

Identification/Properties


Computed Properties
Molecular Weight:
232.297g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
232.056g/mol
Monoisotopic Mass:
232.056g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
267
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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