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133223-48-0 | Thieno[2,3-b]pyridine-6-carboxylic acid, 4-hydroxy-, methyl ester
CAS No: 133223-48-0 Catalog No: AG0014F6 MDL No:
Product Description
Catalog Number:
AG0014F6
Chemical Name:
Thieno[2,3-b]pyridine-6-carboxylic acid, 4-hydroxy-, methyl ester
CAS Number:
133223-48-0
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
IUPAC Name:
methyl 4-oxo-7H-thieno[2,3-b]pyridine-6-carboxylate
InChI:
InChI=1S/C9H7NO3S/c1-13-9(12)6-4-7(11)5-2-3-14-8(5)10-6/h2-4H,1H3,(H,10,11)
InChI Key:
VRJSDVWMQMEGQU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)c2c(n1)scc2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.219g/mol
Monoisotopic Mass:
209.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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