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Home > Pyridines > 954269-24-0
954269-24-0 | 4-[(pyridin-3-ylmethyl)sulfanyl]benzoic acid
CAS No: 954269-24-0 Catalog No: AG019N6E MDL No:MFCD09737036
Product Description
Catalog Number:
AG019N6E
Chemical Name:
4-[(pyridin-3-ylmethyl)sulfanyl]benzoic acid
CAS Number:
954269-24-0
Molecular Formula:
C13H11NO2S
Molecular Weight:
245.2969
MDL Number:
MFCD09737036
IUPAC Name:
4-(pyridin-3-ylmethylsulfanyl)benzoic acid
InChI:
InChI=1S/C13H11NO2S/c15-13(16)11-3-5-12(6-4-11)17-9-10-2-1-7-14-8-10/h1-8H,9H2,(H,15,16)
InChI Key:
HFAWRXYOQXAQEH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)SCc1cccnc1
Properties
Complexity:
252
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:
4
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| 1D, 2D and 3D luminescent zinc(II) coordination polymers assembled from varying flexible thioether ligands. | Dalton transactions (Cambridge, England : 2003) 20080921 |
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