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116119-00-7 | Thieno[3,2-c]pyridine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 2,5-diethyl ester
CAS No: 116119-00-7 Catalog No: AG000BP6 MDL No:MFCD12964068
Product Description
Catalog Number:
AG000BP6
Chemical Name:
Thieno[3,2-c]pyridine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 2,5-diethyl ester
CAS Number:
116119-00-7
Molecular Formula:
C13H17NO4S
Molecular Weight:
283.3434
MDL Number:
MFCD12964068
IUPAC Name:
diethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxylate
InChI:
InChI=1S/C13H17NO4S/c1-3-17-12(15)11-7-9-8-14(13(16)18-4-2)6-5-10(9)19-11/h7H,3-6,8H2,1-2H3
InChI Key:
RSHJDGWVQSUSTR-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCc2c(C1)cc(s2)C(=O)OCC
Properties
Complexity:
350
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:
0
Isotope Atom Count:
0
Molecular Weight:
283.342g/mol
Monoisotopic Mass:
283.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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