1442644-14-5

Name 8H-Indeno[1,2-d]oxazole-2-acetonitrile, α-[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazol-2-yl]-3a,8a-dihydro-, (3aS,8aR)-
CAS 1442644-14-5
Molecular Formula C22H17N3O2
Molecular Weight 355.4
MOL File 1442644-14-5.mol
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Chemical Properties

Boiling point  530.8±50.0 °C(Predicted)
density  1.51±0.1 g/cm3(Predicted)
pka 3.79±0.20(Predicted)
InChI InChI=1/C22H17N3O2/c23-11-16(21-24-19-14-7-3-1-5-12(14)9-17(19)26-21)22-25-20-15-8-4-2-6-13(15)10-18(20)27-22/h1-8,16-20H,9-10H2/t17-,18-,19+,20+/s3
InChIKey PLCQFKBSQBOOOY-YPBRSVFVNA-N
SMILES C(C1O[C@]2([H])CC3=CC=CC=C3[C@]2([H])N=1)(C1O[C@]2([H])CC3=CC=CC=C3[C@]2([H])N=1)C#N |&1:3,12,17,26,r|

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P403+P233-P405-P501

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