1-pent-4-ynyl-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane-3-carbonitrile
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1-pent-4-ynyl-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane-3-carbonitrile
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CAS No:
121317-22-4
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Formula:
C14H19NO3
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Chemical Name:
1-pent-4-ynyl-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane-3-carbonitrile
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Synonyms:
121317-22-4;SCHEMBL9260295;DTXSID90923774;3,5,8-Trioxabicyclo(2.2.2)octane-7-carbonitrile, 4-pent-4-ynyl-1-propyl-;4-Pent-4-ynyl-1-propyl-3,5,8-trioxabicyclo(2.2.2)octane-7-carbonitrile;4-pent-4-ynyl-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile;1-(pent-4-yn-1-yl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane-3-carbonitrile;1-(Pent-4-ynyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane-3-carbonitrile
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CAS No:
1-pent-4-ynyl-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane-3-carbonitrile Basic Attributes
249.30 g/mol
249.13649347 g/mol
Computed Properties
Molecular Weight:249.30
XLogP3:2.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:249.13649347
Monoisotopic Mass:249.13649347
Topological Polar Surface Area:51.5
Heavy Atom Count:18
Complexity:392
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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