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28783-21-3 | Thieno[2,3-c]pyridine-3-carboxylic acid, methyl ester
CAS No: 28783-21-3 Catalog No: AG002WFR MDL No:MFCD18833774
Product Description
Catalog Number:
AG002WFR
Chemical Name:
Thieno[2,3-c]pyridine-3-carboxylic acid, methyl ester
CAS Number:
28783-21-3
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
MDL Number:
MFCD18833774
IUPAC Name:
methyl thieno[2,3-c]pyridine-3-carboxylate
InChI:
InChI=1S/C9H7NO2S/c1-12-9(11)7-5-13-8-4-10-3-2-6(7)8/h2-5H,1H3
InChI Key:
MTYYZCUGEPQHNG-UHFFFAOYSA-N
SMILES:
COC(=O)c1csc2c1ccnc2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.22g/mol
Monoisotopic Mass:
193.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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