Home Carboxys Thieno[2,3-c]pyridine-6(5H)-carboxylic acid, 4,7-dihydro-, 1,1-dimethylethyl ester

Thieno[2,3-c]pyridine-6(5H)-carboxylic acid, 4,7-dihydro-, 1,1-dimethylethyl ester

CAS No.:
165947-52-4
Catalog Number:
AG001WFB
Molecular Formula:
C12H17NO2S
Molecular Weight:
239.3339
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Product Description
Catalog Number:
AG001WFB
Chemical Name:
Thieno[2,3-c]pyridine-6(5H)-carboxylic acid, 4,7-dihydro-, 1,1-dimethylethyl ester
CAS Number:
165947-52-4
Molecular Formula:
C12H17NO2S
Molecular Weight:
239.3339
MDL Number:
MFCD08752873
IUPAC Name:
tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
InChI:
InChI=1S/C12H17NO2S/c1-12(2,3)15-11(14)13-6-4-9-5-7-16-10(9)8-13/h5,7H,4,6,8H2,1-3H3
InChI Key:
WSFBIDRTNUEVBV-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)scc2)OC(C)(C)C
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.098g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.333g/mol
Monoisotopic Mass:
239.098g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties