Benzo[b]thiophene-2-carboxylic acid, methyl ester


Chemical Name: Benzo[b]thiophene-2-carboxylic acid, methyl ester
CAS Number: 22913-24-2
Product Number: AG002LHI(AGN-PC-0KLAZM)
Synonyms:
MDL No: MFCD00067791
Molecular Formula: C10H8O2S
Molecular Weight: 192.2343

Identification/Properties


Properties
MP:
70-74 °C
BP:
304.586°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
192.232g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
192.025g/mol
Monoisotopic Mass:
192.025g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
205
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


NMR Spectrum


Other Analytical Data


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