58663-48-2
2-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-2-YL)-2-HYDROXYPROPANENITRILE
Name2-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-2-YL)-2-HYDROXYPROPANENITRILE
1Identification
【Name】
2-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-2-YL)-2-HYDROXYPROPANENITRILE
【CAS】
【MDL】
MFCD19302201
【English Synonyms】
【Formula】
C11 H11 N O3
【MolWeight】
205.212
【Inchi】
InChI=1S/C11H11NO3/c1-11(13,7-12)10-6-14-8-4-2-3-5-9(8)15-10/h2-5,10,13H,6H2,1H3
【InChIKey】
InChIKey=HTKKLOIRRBRURZ-UHFFFAOYSA-N
【SMILES】
CC(C#N)(C1COc2ccccc2O1)O
【MOL File】
2-(2,3-DIHYDROBENZO[….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-2-YL)-2-HYDROXYPROPANENITRILE.cml