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Bicyclo[2.2.2]octane-1,4-diol

Bicyclo[2.2.2]octane-1,4-diol structure

CAS No:
1194-44-1
Formula:
C8H14O2
Chemical Name:
Bicyclo[2.2.2]octane-1,4-diol
Synonyms:
Bicyclo[2.2.2]octane-1,4-diol;BICYCLO(2.2.2)OCTANE-1,4-DIOL;1,4-Dihydroxybicyclo[2.2.2]octane;SCHEMBL9306212;CTK7J7963;DTXSID80339865;ZINC399241;1,4-bicyclo[2.2.2]octane diol;AKOS024337711;MCULE-8418156206

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Bicyclo[2.2.2]octane-1,4-diol Basic Attributes

Molecular Weight：

142.198

Exact Mass：

142.099

DSSTox ID：

DTXSID80339865

Characteristics

PSA：

40.5

XLogP3：

0.3

Density：

1.335±0.06 g/cm3(Predicted)

Melting Point：

282-283 °C(Solv: xylene (1330-20-7))

Boiling Point：

246.1±8.0 °C(Predicted)

Computed Properties

Molecular Weight:142.20
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:142.099379685
Monoisotopic Mass:142.099379685
Topological Polar Surface Area:40.5
Heavy Atom Count:10
Complexity:111
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Bicyclo[2.2.2]octane-1,4-diol

Basic Attributes
Characteristics
Computed Properties

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