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1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)inositol

1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)inositol structure

CAS No:
3055-84-3
Formula:
C24H30N6O6
Chemical Name:
1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)inositol
Synonyms:
Inositol,1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)-;Propionitrile,3,3′,3′′,3′′′,3′′′′,3′′′′′-(1,2,3,4,5,6-cyclohexanehexaylhexaoxy)hexa-;Cyclohexane,1,2,3,4,5,6-hexakis(2-cyanoethoxy)-;1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)inositol;HKCEH;NSC 89769

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1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)inositol Basic Attributes

Molecular Weight：

696.57204

Exact Mass：

498.53

EC Number：

221-277-6

NSC Number：

89769

DSSTox ID：

DTXSID60184638

Characteristics

PSA：

198

XLogP3：

-2.3

Density：

1.23±0.1 g/cm3(Predicted)

Computed Properties

Molecular Weight:498.5
XLogP3:-2.3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:18
Exact Mass:498.22268270
Monoisotopic Mass:498.22268270
Topological Polar Surface Area:198
Heavy Atom Count:36
Complexity:735
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)inositol

Basic Attributes
Characteristics
Computed Properties

1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)inositol

SDS

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