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87151-08-4 | 2-Pyridinecarboxylic acid, 1,6-dihydro-1-methyl-6-thioxo-, methyl ester
CAS No: 87151-08-4 Catalog No: AG004OBO MDL No:
Product Description
Catalog Number:
AG004OBO
Chemical Name:
2-Pyridinecarboxylic acid, 1,6-dihydro-1-methyl-6-thioxo-, methyl ester
CAS Number:
87151-08-4
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
IUPAC Name:
methyl 1-methyl-6-sulfanylidenepyridine-2-carboxylate
InChI:
InChI=1S/C8H9NO2S/c1-9-6(8(10)11-2)4-3-5-7(9)12/h3-5H,1-2H3
InChI Key:
DCCVMIFDKLDIIX-UHFFFAOYSA-N
SMILES:
Cn1c(cccc1=S)C(=O)OC
Properties
Complexity:
281
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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