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3-imino-1,7-dimethyl-5-propan-2-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile

3-imino-1,7-dimethyl-5-propan-2-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile structure

CAS No:
95059-16-8
Formula:
C14H16N4O2
Chemical Name:
3-imino-1,7-dimethyl-5-propan-2-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Synonyms:
NSC681874;Oprea1_111211;CHEMBL1973420;STK528728;AKOS005461845;MCULE-5797133509;NSC-681874;NCI60_029310;3-imino-1,7-dimethyl-5-(propan-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile;3-Imino-5-isopropyl-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile;3-Imino-5-(1-methylethyl)-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile;95059-16-8

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3-imino-1,7-dimethyl-5-propan-2-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile Basic Attributes

Molecular Weight：

272.30 g/mol

Exact Mass：

272.12732577 g/mol

NSC Number：

681874

Characteristics

PSA：

114 Å²

XLogP3：

2.04424

Computed Properties

Molecular Weight:272.30
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:272.12732577
Monoisotopic Mass:272.12732577
Topological Polar Surface Area:114
Heavy Atom Count:20
Complexity:611
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-imino-1,7-dimethyl-5-propan-2-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile

Basic Attributes
Characteristics
Computed Properties

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