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187733-14-8 | Thieno[3,2-b]pyridine-3-carboxylic acid, 2-amino-, methyl ester
CAS No: 187733-14-8 Catalog No: AG002GGE MDL No:
Product Description
Catalog Number:
AG002GGE
Chemical Name:
Thieno[3,2-b]pyridine-3-carboxylic acid, 2-amino-, methyl ester
CAS Number:
187733-14-8
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
IUPAC Name:
methyl 2-aminothieno[3,2-b]pyridine-3-carboxylate
InChI:
InChI=1S/C9H8N2O2S/c1-13-9(12)6-7-5(14-8(6)10)3-2-4-11-7/h2-4H,10H2,1H3
InChI Key:
RZOYYBNNKGKQCV-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(N)sc2c1nccc2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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