12-imino-9-phenyl-10,11-dioxatricyclo[5.3.2.01,6]dodecane-7,8,8-tricarbonitrile
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![12-imino-9-phenyl-10,11-dioxatricyclo[5.3.2.01,6]dodecane-7,8,8-tricarbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a4a4fe8558f5460c838c02df4a1f2ade.png "12-imino-9-phenyl-10,11-dioxatricyclo[5.3.2.01,6]dodecane-7,8,8-tricarbonitrile")
12-imino-9-phenyl-10,11-dioxatricyclo[5.3.2.01,6]dodecane-7,8,8-tricarbonitrile
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CAS No:
329928-42-9
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Formula:
C19H16N4O2
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Chemical Name:
12-imino-9-phenyl-10,11-dioxatricyclo[5.3.2.01,6]dodecane-7,8,8-tricarbonitrile
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Synonyms:
AC1LC9O2;MLS000590184;ChemDiv2_002312;Oprea1_532116;CHEMBL1600163;HMS1375J02;HMS2536N07;STK711744;AKOS001734528;MCULE-9622357690;SMR000219382;ST045659;SR-01000538339;SR-01000538339-1;10-imino-2-phenyltetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile;12-Imino-9-phenyl-10,11-dioxa-tricyclo[5.3.2.0(1,6)]dodecane-7,8,8-tricarbonitrile;12-Imino-9-phenyl-10,11-dioxa-tricyclo[5.3.2.0*1,6*]dodecane-7,8,8-tricarbonitrile;12-imino-9-phenyl-10,11-dioxatricyclo[5.3.2.0<1,6>]dodecane-7,8,8-tricarbonitr ile;12-imino-9-phenyl-10,11-dioxatricyclo[5.3.2.0~1,6~]dodecane-7,8,8-tricarbonitrile;3,3,4-Tricyanooctahydro-2-phenyl-8a,4-(epoxymethano)-2H-1-benzopyran-10-imine;329928-42-9
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CAS No:
12-imino-9-phenyl-10,11-dioxatricyclo[5.3.2.01,6]dodecane-7,8,8-tricarbonitrile Basic Attributes
332.4 g/mol
332.12732577 g/mol
Computed Properties
Molecular Weight:332.4
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:332.12732577
Monoisotopic Mass:332.12732577
Topological Polar Surface Area:114
Heavy Atom Count:25
Complexity:742
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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