13395-02-3

Name aristolactam I
CAS 13395-02-3
Molecular Formula C17H11NO4
MDL Number MFCD00797313
Molecular Weight 293.27
MOL File 13395-02-3.mol

Chemical Properties

Melting point  319 °C
Boiling point  463.9±34.0 °C(Predicted)
density  1.49
storage temp.  Refrigerator
solubility  Acetone (Slightly), DMSO (Slightly, Heated), Methanol (Slightly)
form  Solid
pka 12.36±0.20(Predicted)
color  Light Yellow to Dark Yellow
Water Solubility  sparingly soluble in water
InChI InChI=1S/C17H11NO4/c1-20-12-4-2-3-8-9(12)5-11-14-10(17(19)18-11)6-13-16(15(8)14)22-7-21-13/h2-6H,7H2,1H3,(H,18,19)
InChIKey MXOKGWUJNGEKBH-UHFFFAOYSA-N
SMILES N1C2=C3C(C4=C(C=C3C1=O)OCO4)=C1C=CC=C(OC)C1=C2

Safety Data

RIDADR  2811
HazardClass  6.1(b)
PackingGroup  III

Hazard Information

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