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112501-42-5

Name Aristolactam FI
CAS 112501-42-5
Molecular Formula C16H11NO3
MDL Number MFCD20274568
Molecular Weight 265.26
MOL File 112501-42-5.mol
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Chemical Properties

Melting point  >300 °C
Boiling point  457.0±38.0 °C(Predicted)
density  1.441±0.06 g/cm3(Predicted)
pka 8.39±0.20(Predicted)
InChI InChI=1S/C16H11NO3/c1-20-12-7-10-13-11(17-16(10)19)6-8-4-2-3-5-9(8)14(13)15(12)18/h2-7,18H,1H3,(H,17,19)
InChIKey KBGNBPGXVKPRQI-UHFFFAOYSA-N
SMILES N1C2=C3C(C(O)=C(OC)C=C3C1=O)=C1C=CC=CC1=C2

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