76784-95-7

Name (1ALPHA,2ALPHA,4ALPHA)-1,2,4-CYCLOHEXANETRICARBOXYLIC ACID
CAS 76784-95-7
Molecular Formula C9H12O6
MDL Number MFCD09038509
Molecular Weight 216.188
MOL File 76784-95-7.mol
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Chemical Properties

Melting point  182 °C
Boiling point  470.1±45.0 °C(Predicted)
density  1.509±0.06 g/cm3 (20 ºC 760 Torr)
solubility  soluble in Methanol
form  powder to crystal
pka 3.72±0.47(Predicted)
color  White to Almost white
InChI InChI=1/C9H12O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h4-6H,1-3H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+,6-/s3
InChIKey WTNDADANUZETTI-NGJCXOISSA-N
SMILES [C@@H]1(C(O)=O)CC[C@H](C(O)=O)C[C@@H]1C(O)=O |&1:0,6,11,r|

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
HS Code  2917.20.0000

Hazard Information

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