100884-80-8

Name 1,3,5,7-ADAMANTANETETRACARBOXYLIC ACID
CAS 100884-80-8
Molecular Formula C14H16O8
MDL Number MFCD09907630
Molecular Weight 312.27
MOL File 100884-80-8.mol
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Chemical Properties

Melting point  395 °C (decomp)(Solv: acetic acid (64-19-7))
Boiling point  403.6±40.0 °C(Predicted)
density  1.864±0.06 g/cm3(Predicted)
pka 3.29±0.70(Predicted)
InChI InChI=1S/C14H16O8/c15-7(16)11-1-12(8(17)18)4-13(2-11,9(19)20)6-14(3-11,5-12)10(21)22/h1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKey VWAIZPYLEYEEFK-UHFFFAOYSA-N
SMILES C12(C(O)=O)CC3(C(O)=O)CC(C(O)=O)(CC(C(O)=O)(C3)C1)C2

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338

Spectrum Detail

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