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828276-45-5 | 2,3-Pyridinedicarboxylic acid, 6-(methylthio)-, dimethyl ester
CAS No: 828276-45-5 Catalog No: AG0055PH MDL No:
Product Description
Catalog Number:
AG0055PH
Chemical Name:
2,3-Pyridinedicarboxylic acid, 6-(methylthio)-, dimethyl ester
CAS Number:
828276-45-5
Molecular Formula:
C10H11NO4S
Molecular Weight:
241.2636
IUPAC Name:
dimethyl 6-methylsulfanylpyridine-2,3-dicarboxylate
InChI:
InChI=1S/C10H11NO4S/c1-14-9(12)6-4-5-7(16-3)11-8(6)10(13)15-2/h4-5H,1-3H3
InChI Key:
ARSJYMGOHWLPCY-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(SC)ccc1C(=O)OC
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.261g/mol
Monoisotopic Mass:
241.041g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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