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87532-40-9 | Ethanone, 2-hydroxy-1-[4-(methylthio)phenyl]-2-(4-pyridinyl)-
CAS No: 87532-40-9 Catalog No: AG004HA3 MDL No:
Product Description
Catalog Number:
AG004HA3
Chemical Name:
Ethanone, 2-hydroxy-1-[4-(methylthio)phenyl]-2-(4-pyridinyl)-
CAS Number:
87532-40-9
Molecular Formula:
C14H13NO2S
Molecular Weight:
259.3235
IUPAC Name:
2-hydroxy-1-(4-methylsulfanylphenyl)-2-pyridin-4-ylethanone
InChI:
InChI=1S/C14H13NO2S/c1-18-12-4-2-10(3-5-12)13(16)14(17)11-6-8-15-9-7-11/h2-9,14,17H,1H3
InChI Key:
MUKDWUSNXXLKHQ-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C(=O)C(c1ccncc1)O
Properties
Complexity:
271
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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