5-thiocyanatopentyl pyridine-3-carboxylate
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5-thiocyanatopentyl pyridine-3-carboxylate
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CAS No:
101952-79-8
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Formula:
C12H14N2O2S
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Chemical Name:
5-thiocyanatopentyl pyridine-3-carboxylate
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Synonyms:
101952-79-8;NICOTINIC ACID, 5-THIOCYANATOPENTYL ESTER;5-Thiocyanatopentyl nicotinate;BRN 0198675;ACMC-1BQ58;3-Pyridinecarboxylicacid, 5-thiocyanatopentyl ester;5-Thiocyanatopentyl=nicotinate;DTXSID50144428
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CAS No:
5-thiocyanatopentyl pyridine-3-carboxylate Basic Attributes
250.32 g/mol
250.07759887 g/mol
DTXSID50144428
Computed Properties
Molecular Weight:250.32
XLogP3:2.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:250.07759887
Monoisotopic Mass:250.07759887
Topological Polar Surface Area:88.3
Heavy Atom Count:17
Complexity:275
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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