906-33-2

Name Neochlorogenic acid
CAS 906-33-2
EINECS(EC#) 212-997-1
Molecular Formula C16H18O9
MDL Number MFCD10566639
Molecular Weight 354.309
MOL File 906-33-2.mol

Chemical Properties

Melting point  204-206 °C (decomp)
Boiling point  665.0±55.0 °C(Predicted)
density  1.65±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO (Slightly), Ethanol (Slightly, Heated, Sonicated)
form  neat
pka 3.90±0.50(Predicted)
color  White to Off-White
biological source Lonicera japonica
Stability: Hygroscopic
InChIKey CWVRJTMFETXNAD-NXLLHMKUSA-N
SMILES [C@@]1(O)(C(O)=O)C[C@@H](O)[C@H](O)[C@H](OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C1
LogP 0.370 (est)
CAS DataBase Reference 906-33-2

Safety Data

WGK Germany  3
HS Code  29182900

Hazard Information

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