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6537-80-0

Name ChicoricAcid
CAS 6537-80-0
Molecular Formula C22H18O12
MDL Number MFCD22683653
Molecular Weight 474.37
MOL File 6537-80-0.mol

Chemical Properties

Melting point  200~208℃
Boiling point  785.0±60.0 °C(Predicted)
density  1.641±0.06 g/cm3(Predicted)
storage temp.  ?20°C
solubility  DMSO (Slightly), Methanol (Slightly), Pyridine (Slightly)
form  Solid
pka 1.47±0.25(Predicted)
color  Pale Yellow
Water Solubility  Water : 100 mg/mL (210.81 mM; Need ultrasonic)
Stability: Hygroscopic
InChIKey YDDGKXBLOXEEMN-IABMMNSOSA-N
SMILES C(O)(=O)[C@H](OC(=O)C=CC1=CC=C(O)C(O)=C1)[C@@H](OC(=O)C=CC1=CC=C(O)C(O)=C1)C(O)=O
LogP 3.090 (est)
CAS DataBase Reference 6537-80-0

Safety Data

Hazard Codes  Xn
Risk Statements 
Safety Statements 
WGK Germany  3
HS Code  29182900

Hazard Information

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