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142221-23-6 | 3-Pyridinecarboxylic acid, 2-[(2-oxo-2-phenylethyl)thio]-
CAS No: 142221-23-6 Catalog No: AG001I0K MDL No:MFCD00791575
Product Description
Catalog Number:
AG001I0K
Chemical Name:
3-Pyridinecarboxylic acid, 2-[(2-oxo-2-phenylethyl)thio]-
CAS Number:
142221-23-6
Molecular Formula:
C14H11NO3S
Molecular Weight:
273.3070
MDL Number:
MFCD00791575
IUPAC Name:
2-phenacylsulfanylpyridine-3-carboxylic acid
InChI:
InChI=1S/C14H11NO3S/c16-12(10-5-2-1-3-6-10)9-19-13-11(14(17)18)7-4-8-15-13/h1-8H,9H2,(H,17,18)
InChI Key:
MJHMABNIGSEYKN-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CSc1ncccc1C(=O)O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.306g/mol
Monoisotopic Mass:
273.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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