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CAS Number: 1127-13-5
4-hydroxybicyclo[2.2.2]octane-1-carboxylic acid

Structure

4-hydroxybicyclo[2.2.2]octane-1-carboxylic acid
Name: 4-hydroxybicyclo[2.2.2]octane-1-carboxylic acid
Synonyms:
General Information
Product Number: 1127135

CAS Registry Number 1127-13-5
Name:
Bicyclo[2.2.2]​octane-​1-​carboxylic acid, 4-​hydroxy-
4-Hydroxybicyclo[2.2.2]octane-1-carboxylic acid

 

Chemical Formula: C9H14O3
Exact Mass: 170.09
Molecular Weight: 170.21
m/z: 170.09 (100.0%), 171.10 (10.0%), 172.10 (1.1%)

 

InChI:InChI=1S/C9H14O3/c10-7(11)8-1-4-9(12,5-2-8)6-3-8/h12H,1-6H2,(H,10,11)

InChI Key:LXQJPKMORWPZGM-UHFFFAOYSA-N

Canonical SMILES:C1CC2(CCC1(CC2)C(=O)O)O

 

Thermal Properties Value Condition Note
Melting Point 224-226 °C bomb tube (1)IC

Specification

98%

References
  1. (1) Grob, Cyril A.; Helvetica Chimica Acta 1979, V62(8), P2802-16 CAPLUS
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