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4-hydroxy-Bicyclo[2.2.2]octane-1-carboxylicacid

4-hydroxy-Bicyclo[2.2.2]octane-1-carboxylicacid structure

CAS No:
1127-13-5
Formula:
C9H14O3
Chemical Name:
4-hydroxy-Bicyclo[2.2.2]octane-1-carboxylicacid
Synonyms:
4-hydroxy-Bicyclo[2.2.2]octane-1-carboxylic acid;Bicyclo[2.2.2]octane-1-carboxylic acid, 4-hydroxy-

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4-hydroxy-Bicyclo[2.2.2]octane-1-carboxylicacid Basic Attributes

Molecular Weight：

170.21

Exact Mass：

170.094294304

DSSTox ID：

DTXSID50502564

Characteristics

Density：

1.398±0.06 g/cm3

Melting Point：

224-226 °C(bomb tube)

Boiling Point：

322.2±42.0 °C(Predicted)

PKA：

4.84±0.10

Computed Properties

Molecular Weight:170.21
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:170.094294304
Monoisotopic Mass:170.094294304
Topological Polar Surface Area:57.5
Heavy Atom Count:12
Complexity:197
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-hydroxy-Bicyclo[2.2.2]octane-1-carboxylic acid

CAS No.: 1127-13-5

Content: 99.00%

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Guide of 4-hydroxy-Bicyclo[2.2.2]octane-1-carboxylicacid

Basic Attributes
Characteristics
Computed Properties
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