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1135124-02-5 | Thieno[2,3-c]pyridine-2,6(5H)-dicarboxylic acid, 4,7-dihydro-, 6-(1,1-dimethylethyl) 2-ethyl ester
CAS No: 1135124-02-5 Catalog No: AG0008U0 MDL No:MFCD23135786
Product Description
Catalog Number:
AG0008U0
Chemical Name:
Thieno[2,3-c]pyridine-2,6(5H)-dicarboxylic acid, 4,7-dihydro-, 6-(1,1-dimethylethyl) 2-ethyl ester
CAS Number:
1135124-02-5
Molecular Formula:
C15H21NO4S
Molecular Weight:
311.3965
MDL Number:
MFCD23135786
IUPAC Name:
6-O-tert-butyl 2-O-ethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxylate
InChI:
InChI=1S/C15H21NO4S/c1-5-19-13(17)11-8-10-6-7-16(9-12(10)21-11)14(18)20-15(2,3)4/h8H,5-7,9H2,1-4H3
InChI Key:
SAUYKASEVLSPBT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc2c(c1)CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.396g/mol
Monoisotopic Mass:
311.119g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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