2-Thiophenecarboxylic acid, 5-acetyl-


Chemical Name: 2-Thiophenecarboxylic acid, 5-acetyl-
CAS Number: 4066-41-5
Product Number: AG00I7ZC(AGN-PC-0KZFKX)
Synonyms:
MDL No:
Molecular Formula: C7H6O3S
Molecular Weight: 170.1857

Identification/Properties


Computed Properties
Molecular Weight:
170.182g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
170.004g/mol
Monoisotopic Mass:
170.004g/mol
Topological Polar Surface Area:
82.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
190
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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