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1261931-53-6 | 2-Pyridinecarboxylic acid, 6-[4-(methylthio)phenyl]-
CAS No: 1261931-53-6 Catalog No: AG000S6A MDL No:MFCD18317462
Product Description
Catalog Number:
AG000S6A
Chemical Name:
2-Pyridinecarboxylic acid, 6-[4-(methylthio)phenyl]-
CAS Number:
1261931-53-6
Molecular Formula:
C13H11NO2S
Molecular Weight:
245.2969
MDL Number:
MFCD18317462
IUPAC Name:
6-(4-methylsulfanylphenyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C13H11NO2S/c1-17-10-7-5-9(6-8-10)11-3-2-4-12(14-11)13(15)16/h2-8H,1H3,(H,15,16)
InChI Key:
HFOYYTLBPNXXQA-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1cccc(n1)C(=O)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.296g/mol
Monoisotopic Mass:
245.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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