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887982-60-7 | 2-Pyridinecarboxylicacid, 6-[4-(ethylthio)phenyl]-
CAS No: 887982-60-7 Catalog No: AG004B04 MDL No:
Product Description
Catalog Number:
AG004B04
Chemical Name:
2-Pyridinecarboxylicacid, 6-[4-(ethylthio)phenyl]-
CAS Number:
887982-60-7
Molecular Formula:
C14H13NO2S
Molecular Weight:
259.3235
IUPAC Name:
6-(4-ethylsulfanylphenyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C14H13NO2S/c1-2-18-11-8-6-10(7-9-11)12-4-3-5-13(15-12)14(16)17/h3-9H,2H2,1H3,(H,16,17)
InChI Key:
XARAFSQHPWUIFI-UHFFFAOYSA-N
SMILES:
CCSc1ccc(cc1)c1cccc(n1)C(=O)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.323g/mol
Monoisotopic Mass:
259.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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