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74500-75-7 | 2-Pyridinecarboxylic acid, 1,6-dihydro-1-methyl-6-thioxo-
CAS No: 74500-75-7 Catalog No: AG005ATU MDL No:
Product Description
Catalog Number:
AG005ATU
Chemical Name:
2-Pyridinecarboxylic acid, 1,6-dihydro-1-methyl-6-thioxo-
CAS Number:
74500-75-7
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
IUPAC Name:
1-methyl-6-sulfanylidenepyridine-2-carboxylic acid
InChI:
InChI=1S/C7H7NO2S/c1-8-5(7(9)10)3-2-4-6(8)11/h2-4H,1H3,(H,9,10)
InChI Key:
JQBIRMJKBNMNQC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(=S)n1C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.198g/mol
Monoisotopic Mass:
169.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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