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17768-36-4

Name (3-HYDROXY-ADAMANTAN-1-YL)-ACETIC ACID
CAS 17768-36-4
Molecular Formula C12H18O3
MDL Number MFCD00167797
Molecular Weight 210.27
MOL File 17768-36-4.mol
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Chemical Properties

Melting point  125-129 °C
Boiling point  375.3±15.0 °C(Predicted)
density  1.329
storage temp.  Sealed in dry,Room Temperature
solubility  soluble in Methanol
form  powder to crystaline
pka 4.72±0.10(Predicted)
color  White to Almost white
InChI InChI=1S/C12H18O3/c13-10(14)6-11-2-8-1-9(3-11)5-12(15,4-8)7-11/h8-9,15H,1-7H2,(H,13,14)
InChIKey JFMDWSCOQLUOCZ-UHFFFAOYSA-N
SMILES C12(CC(O)=O)CC3CC(CC(O)(C3)C1)C2
CAS DataBase Reference 17768-36-4(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Safety Statements 
WGK Germany  3
HazardClass  IRRITANT
HS Code  29162090

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