2-Thiophenecarboxylic acid, 5-formyl-, methyl ester


Chemical Name: 2-Thiophenecarboxylic acid, 5-formyl-, methyl ester
CAS Number: 67808-64-4
Product Number: AG003RXV(AGN-PC-0JWIVO)
Synonyms:
MDL No: MFCD01859942
Molecular Formula: C7H6O3S
Molecular Weight: 170.1857

Identification/Properties


Properties
MP:
102℃
BP:
304.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
170.182g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
170.004g/mol
Monoisotopic Mass:
170.004g/mol
Topological Polar Surface Area:
71.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
169
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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