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9-imino-12-phenyl-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile

9-imino-12-phenyl-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile structure

CAS No:
95059-26-0
Formula:
C19H16N4O2
Chemical Name:
9-imino-12-phenyl-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile
Synonyms:
NSC681882;imino(phenyl)[?]tricarbonitrile;CHEMBL2001323;STK529743;AKOS005462686;MCULE-1652833258;NSC-681882;NCI60_029318;2-imino-10-phenyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile;9-Imino-12-phenyl-10,11-dioxa-tricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile;8a,3-(Epoxymethano)-8aH-1-benzopyran-3,4,4(2H,6H)-tricarbonitrile, tetrahydro-2-imino-10-phenyl-;95059-26-0

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9-imino-12-phenyl-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile Basic Attributes

Molecular Weight：

332.4 g/mol

Exact Mass：

332.12732577 g/mol

NSC Number：

681882

Characteristics

PSA：

114 Å²

XLogP3：

3.29514

Melting Point：

180 - 184 °C (propan-2-ol)

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

Hot Searches: fluorene; sicl4; copper sulfide compound; propenoic acid; tianeptine sodium; glyoxylic acid

Guide of 9-imino-12-phenyl-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile

Basic Attributes
Characteristics
Computed Properties

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