6-thiocyanatohexyl pyridine-3-carboxylate
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6-thiocyanatohexyl pyridine-3-carboxylate
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CAS No:
101952-78-7
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Formula:
C13H16N2O2S
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Chemical Name:
6-thiocyanatohexyl pyridine-3-carboxylate
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Synonyms:
NICOTINIC ACID, 6-THIOCYANATOHEXYL ESTER;101952-78-7;6-Thiocyanatohexyl nicotinate;BRN 0207804;ACMC-20m4yq;6-Thiocyanatohexyl=nicotinate;3-Pyridinecarboxylicacid, 6-thiocyanatohexyl ester;DTXSID90144427
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CAS No:
6-thiocyanatohexyl pyridine-3-carboxylate Basic Attributes
264.35 g/mol
264.09324893 g/mol
DTXSID90144427
Computed Properties
Molecular Weight:264.35
XLogP3:3.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:264.09324893
Monoisotopic Mass:264.09324893
Topological Polar Surface Area:88.3
Heavy Atom Count:18
Complexity:288
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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