2,3-Thiophenedicarboxylic acid


Chemical Name: 2,3-Thiophenedicarboxylic acid
CAS Number: 1451-95-2
Product Number: AG001KKE(AGN-PC-0JNT3F)
Synonyms:
MDL No:
Molecular Formula: C6H4O4S
Molecular Weight: 172.1586

Identification/Properties


Computed Properties
Molecular Weight:
172.154g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
171.983g/mol
Monoisotopic Mass:
171.983g/mol
Topological Polar Surface Area:
103A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
191
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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