108613-91-8
2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 1-(4-(3-METHOXY-1-PROPYNYL)PHENYL)-4-PROPYL-
Name2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 1-(4-(3-METHOXY-1-PROPYNYL)PHENYL)-4-PROPYL-
1Identification
【Name】
2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 1-(4-(3-METHOXY-1-PROPYNYL)PHENYL)-4-PROPYL-
【CAS】
【MDL】
MFCD01939284
【English Synonyms】
【Formula】
C18 H22 O4
【MolWeight】
302.368
【Inchi】
InChI=1S/C18H22O4/c1-3-10-17-12-20-18(21-13-17,22-14-17)16-8-6-15(7-9-16)5-4-11-19-2/h6-9H,3,10-14H2,1-2H3/t17-,18+
【InChIKey】
InChIKey=VIISIOYUQNHWSX-HDICACEKSA-N
【SMILES】
CCC[C@]12CO[C@](OC1)(OC2)c3ccc(cc3)C#CCOC
【MOL File】
2,6,7-TRIOXABICYCLO(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 1-(4-(3-METHOXY-1-PROPYNYL)PHENYL)-4-PROPYL-.cml