2-propylsulfanylpyridine-3-carboxylic acid
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2-propylsulfanylpyridine-3-carboxylic acid
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CAS No:
175135-22-5
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Formula:
C9H11NO2S
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Chemical Name:
2-propylsulfanylpyridine-3-carboxylic acid
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Synonyms:
2-propylthiopyridine-3-carboxylic acid; 2-(N-PROPYLTHIO)NICOTINIC ACID; 2-(propylthio)nicotinic acid; 2-(Propylthio)-3-Pyridinecarboxylicacid;
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CAS No:
2-propylsulfanylpyridine-3-carboxylic acid Basic Attributes
197.25400
197.05104977
DTXSID30379074
2933399090
Characteristics
75.49000
2.28190
1.25g/cm3
161-162ºC
349.1ºC at 760mmHg
>29.6 [ug/mL]
1.8E-05mmHg at 25°C
Computed Properties
Molecular Weight:197.26
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:197.05104977
Monoisotopic Mass:197.05104977
Topological Polar Surface Area:75.5
Heavy Atom Count:13
Complexity:175
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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