2-Thiophenecarboxylic acid, methyl ester


Chemical Name: 2-Thiophenecarboxylic acid, methyl ester
CAS Number: 5380-42-7
Product Number: AG003S2S(AGN-PC-0JLRXY)
Synonyms:
MDL No:
Molecular Formula: C6H6O2S
Molecular Weight: 142.1756

Identification/Properties


Properties
BP:
200.2°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
1.5405-1.5435
Computed Properties
Molecular Weight:
142.172g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
142.009g/mol
Monoisotopic Mass:
142.009g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
114
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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