2-BENZOYLNICOTINIC ACID
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2-BENZOYLNICOTINIC ACID
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CAS No:
147779-25-7
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Formula:
C13H9NO3
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Chemical Name:
2-BENZOYLNICOTINIC ACID
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Synonyms:
2-benzoylnicotinic acid;2-benzoylpyridine-3-carboxylic acid;3-Pyridinecarboxylicacid, 2-benzoyl-;2-BENZOYLNICOTINICACID;ACMC-1C42R;Oprea1_033471;AC-907/30063052;MLS001178416;SCHEMBL7347947;CHEMBL1882827
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CAS No:
Characteristics
67.3
2.01080
1.311±0.06 g/cm3(Predicted)
186-187 °C(Solv: ligroine (8032-32-4); ethyl ether (60-29-7))
465.4±30.0 °C(Predicted)
235.3ºC
1.622
31.9 [ug/mL]
1.84E-09mmHg at 25°C
Computed Properties
Molecular Weight:227.21
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:227.058243149
Monoisotopic Mass:227.058243149
Topological Polar Surface Area:67.3
Heavy Atom Count:17
Complexity:297
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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