5-oxo-5-thiophen-2-ylpentanoic acid


Chemical Name: 5-oxo-5-thiophen-2-ylpentanoic acid
CAS Number: 22971-62-6
Product Number: AG002LQL(AGN-PC-0JNSN1)
Synonyms:
MDL No:
Molecular Formula: C9H10O3S
Molecular Weight: 198.2389

Identification/Properties


Properties
MP:
94-97°C
BP:
407.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
198.236g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
198.035g/mol
Monoisotopic Mass:
198.035g/mol
Topological Polar Surface Area:
82.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
203
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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