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17768-28-4

Name 1,3-Adamantanediacetic acid
CAS 17768-28-4
EINECS(EC#) 241-751-6
Molecular Formula C14H20O4
MDL Number MFCD00191708
Molecular Weight 252.31
MOL File 17768-28-4.mol
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Chemical Properties

Melting point  234-237 °C (lit.)
Boiling point  453.9±18.0 °C(Predicted)
density  1.304±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  very faint turbidity in hot Methanol
form  powder to crystal
pka 4.42±0.10(Predicted)
color  White to Light yellow
InChI InChI=1S/C14H20O4/c15-11(16)6-13-2-9-1-10(4-13)5-14(3-9,8-13)7-12(17)18/h9-10H,1-8H2,(H,15,16)(H,17,18)
InChIKey UTENGZNBNPABQE-UHFFFAOYSA-N
SMILES C12(CC(O)=O)CC3CC(CC(CC(O)=O)(C3)C1)C2
CAS DataBase Reference 17768-28-4(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
WGK Germany  3
HazardClass  IRRITANT
HS Code  29172090
Storage Class 11 - Combustible Solids

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