5-(5-chlorothiophen-2-yl)-5-oxopentanoic acid


Chemical Name: 5-(5-chlorothiophen-2-yl)-5-oxopentanoic acid
CAS Number: 845790-40-1
Product Number: AG008HHG(AGN-PC-0KKM4M)
Synonyms:
MDL No:
Molecular Formula: C9H9ClO3S
Molecular Weight: 232.6840

Identification/Properties


Computed Properties
Molecular Weight:
232.678g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
231.996g/mol
Monoisotopic Mass:
231.996g/mol
Topological Polar Surface Area:
82.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
232
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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