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Home Carboxys methyl 5,7-dihydroxythieno[3,2-b]pyridine-6-carboxylate

methyl 5,7-dihydroxythieno[3,2-b]pyridine-6-carboxylate

CAS No.:
90691-13-7
Catalog Number:
AG01AV26
Molecular Formula:
C9H7NO4S
Molecular Weight:
225.2212
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Product Description
Catalog Number:
AG01AV26
Chemical Name:
methyl 5,7-dihydroxythieno[3,2-b]pyridine-6-carboxylate
CAS Number:
90691-13-7
Molecular Formula:
C9H7NO4S
Molecular Weight:
225.2212
MDL Number:
MFCD08059494
IUPAC Name:
methyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate
InChI:
InChI=1S/C9H7NO4S/c1-14-9(13)5-6(11)7-4(2-3-15-7)10-8(5)12/h2-3H,1H3,(H2,10,11,12)
InChI Key:
KMALNJWPHHYHSM-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(O)nc2c(c1O)scc2
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.01g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
225.218g/mol
Monoisotopic Mass:
225.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties