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


Chemical Name: Benzo[b]thiophene-2-carboxylic acid, ethyl ester
CAS Number: 17890-55-0
Product Number: AG0026GT(AGN-PC-0NCAR6)
Synonyms:
MDL No:
Molecular Formula: C11H10O2S
Molecular Weight: 206.2609

Identification/Properties


Computed Properties
Molecular Weight:
206.259g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
206.04g/mol
Monoisotopic Mass:
206.04g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
217
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

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NMR Spectrum


Other Analytical Data


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