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Home > Encyclopedia > Acetonitrile, [(1R,5S)-1,8,8-trimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-4-ylidene]-, (2E)- (9CI)

Acetonitrile, [(1R,5S)-1,8,8-trimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-4-ylidene]-, (2E)- (9CI)

Acetonitrile, [(1R,5S)-1,8,8-trimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-4-ylidene]-, (2E)- (9CI) structure

Acetonitrile, [(1R,5S)-1,8,8-trimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-4-ylidene]-, (2E)- (9CI) 

structure
  • CAS No:

    798554-33-3

  • Formula:

    C12H15NO2

  • Chemical Name:

    Acetonitrile, [(1R,5S)-1,8,8-trimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-4-ylidene]-, (2E)- (9CI)

  • Synonyms:

    ZINC39105400;ACETONITRILE,[(1R,5S)-1,8,8-TRIMETHYL-3-OXO-2-OXABICYCLO[3.2.1]OCT-4-YLIDENE]-,(2E)-

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

Characteristics

50.1

1.8

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

Guide of Acetonitrile, [(1R,5S)-1,8,8-trimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-4-ylidene]-, (2E)- (9CI)

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