4-(5-chlorothiophen-2-yl)-4-oxobutanoic acid


Chemical Name: 4-(5-chlorothiophen-2-yl)-4-oxobutanoic acid
CAS Number: 70685-06-2
Product Number: AG0065CG(AGN-PC-0KFNH9)
Synonyms:
MDL No:
Molecular Formula: C8H7ClO3S
Molecular Weight: 218.6574

Identification/Properties


Properties
BP:
435.4°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Computed Properties
Molecular Weight:
218.651g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
217.98g/mol
Monoisotopic Mass:
217.98g/mol
Topological Polar Surface Area:
82.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
219
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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