2-Thiophenecarboxylic acid, 5-methyl-


Chemical Name: 2-Thiophenecarboxylic acid, 5-methyl-
CAS Number: 1918-79-2
Product Number: AG002FH7(AGN-PC-0JLBSR)
Synonyms:
MDL No:
Molecular Formula: C6H6O2S
Molecular Weight: 142.1756

Identification/Properties


Properties
MP:
135-138 °C(lit.)
BP:
229.75°C (rough estimate)
Storage:
2-8℃;
Form:
Solid
Refractive Index:
1.5300 (estimate)
Computed Properties
Molecular Weight:
142.172g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
142.009g/mol
Monoisotopic Mass:
142.009g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
124
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:
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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