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9-imino-12-propan-2-yl-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile

9-imino-12-propan-2-yl-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile structure

CAS No:
95059-24-8
Formula:
C16H18N4O2
Chemical Name:
9-imino-12-propan-2-yl-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile
Synonyms:
NSC681880;CHEMBL1997414;imino(isopropyl)[?]tricarbonitrile;AKOS030513871;MCULE-6542877280;NSC-681880;NCI60_029316;11-Lmino-10-(1-methylethyl)-9,12-dioxatricyclo[6.2.2.0(3,8)]dodecane-1,2,2-tricarbonitrile;8a,3-(Epoxymethano)-8aH-1-benzopyran-3,4,4(2H,6H)-tricarbonitrile, tetrahydro-2-imino-10-(1-methylethyl)-;95059-24-8

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9-imino-12-propan-2-yl-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile Basic Attributes

Molecular Weight：

298.34 g/mol

Exact Mass：

298.14297583 g/mol

NSC Number：

681880

Characteristics

PSA：

114 Å²

XLogP3：

2.57844

Melting Point：

169 - 172 °C (propan-2-ol)

Computed Properties

Molecular Weight:298.34
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:298.14297583
Monoisotopic Mass:298.14297583
Topological Polar Surface Area:114
Heavy Atom Count:22
Complexity:671
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 9-imino-12-propan-2-yl-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile

Basic Attributes
Characteristics
Computed Properties

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