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88796-48-9 | Thieno[2,3-b]pyridine-2-carboxylic acid, 5-amino-3-methyl-, ethyl ester
CAS No: 88796-48-9 Catalog No: AG004B0O MDL No:
Product Description
Catalog Number:
AG004B0O
Chemical Name:
Thieno[2,3-b]pyridine-2-carboxylic acid, 5-amino-3-methyl-, ethyl ester
CAS Number:
88796-48-9
Molecular Formula:
C11H12N2O2S
Molecular Weight:
236.2902
IUPAC Name:
ethyl 5-amino-3-methylthieno[2,3-b]pyridine-2-carboxylate
InChI:
InChI=1S/C11H12N2O2S/c1-3-15-11(14)9-6(2)8-4-7(12)5-13-10(8)16-9/h4-5H,3,12H2,1-2H3
InChI Key:
DGMHVQSTAAAUEQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc2c(c1C)cc(cn2)N
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.289g/mol
Monoisotopic Mass:
236.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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