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3-(1,4,4-trimethyl-2,6-dioxocyclohexyl)propanenitrile

3-(1,4,4-trimethyl-2,6-dioxocyclohexyl)propanenitrile structure

CAS No:
58622-50-7
Formula:
C12H17NO2
Chemical Name:
3-(1,4,4-trimethyl-2,6-dioxocyclohexyl)propanenitrile
Synonyms:
58622-50-7;NSC278030;3-(1,4,4-trimethyl-2,6-dioxocyclohexyl)propanenitrile;DTXSID10313875;NSC-278030;Cyclohexanepropanenitrile,4,4-trimethyl-2,6-dioxo-

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3-(1,4,4-trimethyl-2,6-dioxocyclohexyl)propanenitrile Basic Attributes

Molecular Weight：

207.27 g/mol

Exact Mass：

207.125928785 g/mol

NSC Number：

278030

DSSTox ID：

DTXSID10313875

Characteristics

PSA：

57.9 Å²

Computed Properties

Molecular Weight:207.27
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:207.125928785
Monoisotopic Mass:207.125928785
Topological Polar Surface Area:57.9
Heavy Atom Count:15
Complexity:326
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(1,4,4-trimethyl-2,6-dioxocyclohexyl)propanenitrile

Basic Attributes
Characteristics
Computed Properties

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