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74470-40-9 | 3-Pyridinecarboxylic acid, 6-(methylthio)-, methyl ester
CAS No: 74470-40-9 Catalog No: AG005BFE MDL No:MFCD01928252
Product Description
Catalog Number:
AG005BFE
Chemical Name:
3-Pyridinecarboxylic acid, 6-(methylthio)-, methyl ester
CAS Number:
74470-40-9
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD01928252
IUPAC Name:
methyl 6-methylsulfanylpyridine-3-carboxylate
InChI:
InChI=1S/C8H9NO2S/c1-11-8(10)6-3-4-7(12-2)9-5-6/h3-5H,1-2H3
InChI Key:
KMYTWSGXEHSNRY-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(nc1)SC
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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