1263166-91-1

Name endo BCN-O-PNB
CAS 1263166-91-1
Molecular Formula C17H17NO5
MDL Number MFCD19705415
Molecular Weight 315.33
MOL File 1263166-91-1.mol
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Chemical Properties

Boiling point  475.7±37.0 °C(Predicted)
density  1.32±0.1 g/cm3(Predicted)
solubility  DMSO : 100 mg/mL (317.14 mM; Need ultrasonic)
form  Solid
color  White to off-white
InChI InChI=1/C17H17NO5/c19-17(23-13-9-7-12(8-10-13)18(20)21)22-11-16-14-5-3-1-2-4-6-15(14)16/h7-10,14-16H,3-6,11H2/t14-,15+,16-
InChIKey QXNXOXMDBLHIDB-MUJYYYPQNA-N
SMILES C([C@H]1[C@@]2([H])CCC#CCC[C@@]12[H])OC(=O)OC1C=CC(N(=O)=O)=CC=1 |&1:1,2,10,r|

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352-P305+P351+P338

Hazard Information

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