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4-tert-butyl-2,6,7-trioxabicyclo[2.2.2]octane

4-tert-butyl-2,6,7-trioxabicyclo[2.2.2]octane structure

CAS No:
70636-87-2
Formula:
C9H16O3
Chemical Name:
4-tert-butyl-2,6,7-trioxabicyclo[2.2.2]octane
Synonyms:
4-tert-Butylbicycloorthocarboxylate;2,6,7-Trioxabicyclo(2.2.2)octane, 4-tert-butyl-;Orthoformic acid, cyclic ester with 2-(tert-butyl)-2-(hydroxymethyl)-1,3-propanediol;4-tert-butyl-2,6,7-trioxabicyclo[2.2.2]octane;SCHEMBL10582663;CTK5D2695;DTXSID60220904;LS-98475;2,6,7-Trioxabicyclo[2.2.2]octane,4-(1,1-dimethylethyl)-

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4-tert-butyl-2,6,7-trioxabicyclo[2.2.2]octane Basic Attributes

Molecular Weight：

172.224

Exact Mass：

172.11

DSSTox ID：

DTXSID60220904

Characteristics

PSA：

27.7

XLogP3：

1.4

Density：

1.096g/cm3

Boiling Point：

193.9ºC at 760 mmHg

Flash Point：

61.7ºC

Refractive Index：

1.472

Computed Properties

Molecular Weight:172.22
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:172.109944368
Monoisotopic Mass:172.109944368
Topological Polar Surface Area:27.7
Heavy Atom Count:12
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-tert-butyl-2,6,7-trioxabicyclo[2.2.2]octane

Basic Attributes
Characteristics
Computed Properties

4-tert-butyl-2,6,7-trioxabicyclo[2.2.2]octane

SDS

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