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116538-94-4 | Thieno[2,3-b]pyridine-3-carboxylic acid, 5-cyano-, methyl ester
CAS No: 116538-94-4 Catalog No: AG000CQ3 MDL No:MFCD11053769
Product Description
Catalog Number:
AG000CQ3
Chemical Name:
Thieno[2,3-b]pyridine-3-carboxylic acid, 5-cyano-, methyl ester
CAS Number:
116538-94-4
Molecular Formula:
C10H6N2O2S
Molecular Weight:
218.2318
MDL Number:
MFCD11053769
IUPAC Name:
methyl 5-cyanothieno[2,3-b]pyridine-3-carboxylate
InChI:
InChI=1S/C10H6N2O2S/c1-14-10(13)8-5-15-9-7(8)2-6(3-11)4-12-9/h2,4-5H,1H3
InChI Key:
HTOHFVWFHKYVND-UHFFFAOYSA-N
SMILES:
COC(=O)c1csc2c1cc(cn2)C#N
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.23g/mol
Monoisotopic Mass:
218.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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