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

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

CAS No.:
165947-51-3
Catalog Number:
AG001WFC
Molecular Formula:
C13H16NO4S-
Molecular Weight:
282.3354
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Product Description
Catalog Number:
AG001WFC
Chemical Name:
Thieno[2,3-c]pyridine-2,6(5H)-dicarboxylic acid, 4,7-dihydro-, 6-(1,1-dimethylethyl) ester
CAS Number:
165947-51-3
Molecular Formula:
C13H16NO4S-
Molecular Weight:
282.3354
MDL Number:
MFCD09878719
IUPAC Name:
6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
InChI:
InChI=1S/C13H17NO4S/c1-13(2,3)18-12(17)14-5-4-8-6-9(11(15)16)19-10(8)7-14/h6H,4-5,7H2,1-3H3,(H,15,16)
InChI Key:
FMXNLUVFVPLYPC-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)sc(c2)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
379  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.088g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.342g/mol
Monoisotopic Mass:
283.088g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties