Acetonitrile, [(1R,5S)-1,8,8-trimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-4-ylidene]-, (2E)- (9CI)
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Acetonitrile, [(1R,5S)-1,8,8-trimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-4-ylidene]-, (2E)- (9CI)
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CAS No:
798554-33-3
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Formula:
C12H15NO2
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Chemical Name:
Acetonitrile, [(1R,5S)-1,8,8-trimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-4-ylidene]-, (2E)- (9CI)
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Synonyms:
ZINC39105400;ACETONITRILE,[(1R,5S)-1,8,8-TRIMETHYL-3-OXO-2-OXABICYCLO[3.2.1]OCT-4-YLIDENE]-,(2E)-
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CAS No:
Acetonitrile, [(1R,5S)-1,8,8-trimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-4-ylidene]-, (2E)- (9CI) Basic Attributes
205.253
205.11
Computed Properties
Molecular Weight:205.25
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Exact Mass:205.110278721
Monoisotopic Mass:205.110278721
Topological Polar Surface Area:50.1
Heavy Atom Count:15
Complexity:399
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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