108613-93-0
2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 1-(4-(PHENYLETHYNYL)PHENYL)-4-PROPYL-
Name2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 1-(4-(PHENYLETHYNYL)PHENYL)-4-PROPYL-
1Identification
【Name】
2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 1-(4-(PHENYLETHYNYL)PHENYL)-4-PROPYL-
【CAS】
【MDL】
MFCD01939285
【English Synonyms】
【Formula】
C22 H22 O3
【MolWeight】
334.413
【Inchi】
InChI=1S/C22H22O3/c1-2-14-21-15-23-22(24-16-21,25-17-21)20-12-10-19(11-13-20)9-8-18-6-4-3-5-7-18/h3-7,10-13H,2,14-17H2,1H3/t21-,22+
【InChIKey】
InChIKey=NAJAUVRXYGFKHF-SZPZYZBQSA-N
【SMILES】
CCC[C@]12CO[C@](OC1)(OC2)c3ccc(cc3)C#Cc4ccccc4
【MOL File】
2,6,7-TRIOXABICYCLO(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 1-(4-(PHENYLETHYNYL)PHENYL)-4-PROPYL-.cml