2-Thiophenecarboxylic acid, 3-benzoyl-


Chemical Name: 2-Thiophenecarboxylic acid, 3-benzoyl-
CAS Number: 30006-03-2
Product Number: AG003IYK(AGN-PC-0JOVNR)
Synonyms:
MDL No:
Molecular Formula: C12H8O3S
Molecular Weight: 232.2551

Identification/Properties


Computed Properties
Molecular Weight:
232.253g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
232.019g/mol
Monoisotopic Mass:
232.019g/mol
Topological Polar Surface Area:
82.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
284
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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