5-(2-Phenylethynyl)-3-pyridinecarboxylic acid
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5-(2-Phenylethynyl)-3-pyridinecarboxylic acid
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CAS No:
175203-69-7
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Formula:
C14H9NO2
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Chemical Name:
5-(2-Phenylethynyl)-3-pyridinecarboxylic acid
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Synonyms:
3-Pyridinecarboxylic acid,5-(2-phenylethynyl)-;3-Pyridinecarboxylic acid,5-(phenylethynyl)-;5-(2-Phenylethynyl)-3-pyridinecarboxylic acid;5-(Phenylethynyl)pyridine-3-carboxylic acid;5-(Phenylethynyl)nicotinic acid
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CAS No:
5-(2-Phenylethynyl)-3-pyridinecarboxylic acid Basic Attributes
223.22700
223.23
DTXSID70381338
2933399090
Characteristics
50.19000
2.17960
1.31g/cm3
245ºC
454.1ºC at 760mmHg
228.4ºC
1.66
>33.5 [ug/mL]
4.89E-09mmHg at 25°C
Computed Properties
Molecular Weight:223.23
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:223.063328530
Monoisotopic Mass:223.063328530
Topological Polar Surface Area:50.2
Heavy Atom Count:17
Complexity:333
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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