3-Thiophenecarboxylicacid, tetrahydro-, 1,1-dioxide


Chemical Name: 3-Thiophenecarboxylicacid, tetrahydro-, 1,1-dioxide
CAS Number: 4785-67-5
Product Number: AG006YOC(AGN-PC-0JR4HF)
Synonyms:
MDL No:
Molecular Formula: C5H8O4S
Molecular Weight: 164.1796

Identification/Properties


Computed Properties
Molecular Weight:
164.175g/mol
XLogP3:
-0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
164.014g/mol
Monoisotopic Mass:
164.014g/mol
Topological Polar Surface Area:
79.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
235
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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