2-(Pentylthio)-3-pyridinecarboxylic acid
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2-(Pentylthio)-3-pyridinecarboxylic acid
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CAS No:
175135-23-6
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Formula:
C11H15NO2S
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Chemical Name:
2-(Pentylthio)-3-pyridinecarboxylic acid
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Synonyms:
3-Pyridinecarboxylic acid,2-(pentylthio)-;2-(Pentylthio)-3-pyridinecarboxylic acid;2-(Pentylsulfanyl)pyridine-3-carboxylic acid;2-(Pentylthio)nicotinic acid
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CAS No:
2-(Pentylthio)-3-pyridinecarboxylic acid Basic Attributes
225.30700
225.31
DTXSID50379076
2933399090
Characteristics
75.49000
3.06210
1.18g/cm3
118ºC
372.6ºC at 760mmHg
179.1ºC
>33.8 [ug/mL]
3.27E-06mmHg at 25°C
Computed Properties
Molecular Weight:225.31
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:225.08234989
Monoisotopic Mass:225.08234989
Topological Polar Surface Area:75.5
Heavy Atom Count:15
Complexity:199
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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