3-Thiophenecarboxylic acid


Chemical Name: 3-Thiophenecarboxylic acid
CAS Number: 88-13-1
Product Number: AG0033SA(AGN-PC-0JK7TE)
Synonyms:
MDL No:
Molecular Formula: C5H4O2S
Molecular Weight: 128.1491

Identification/Properties


Properties
MP:
136-141 °C(lit.);
BP:
271°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5160 (estimate)
Solubility:
water: soluble0.2g/10 mL, clear to almost clear, colorless to slightly brownish-yellow
Computed Properties
Molecular Weight:
128.145g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
127.993g/mol
Monoisotopic Mass:
127.993g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
103
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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