1425485-72-8

Name DBCO-C6-acid
CAS 1425485-72-8
Molecular Formula C21H19NO3
MDL Number MFCD22380737
Molecular Weight 333.38
MOL File 1425485-72-8.mol
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Chemical Properties

Boiling point  634.4±55.0 °C(Predicted)
density  1.28±0.1 g/cm3(Predicted)
solubility  Soluble in DMSO, DMF, DCM, THF, Chloroform
form  Solid
pka 4.69±0.10(Predicted)
color  Off-white to light brown
Appearance White or light grey solid
InChI InChI=1S/C21H19NO3/c23-20(11-5-6-12-21(24)25)22-15-18-9-2-1-7-16(18)13-14-17-8-3-4-10-19(17)22/h1-4,7-10H,5-6,11-12,15H2,(H,24,25)
InChIKey NIRLBCOFKPVQLM-UHFFFAOYSA-N
SMILES C(N1CC2=CC=CC=C2C#CC2=CC=CC=C12)(=O)CCCCC(=O)O

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