131505-50-5
2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 4-CYCLOPROPYL-1-(4-ETHYNYLPHENYL)-
Name2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 4-CYCLOPROPYL-1-(4-ETHYNYLPHENYL)-
1Identification
【Name】
2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 4-CYCLOPROPYL-1-(4-ETHYNYLPHENYL)-
【CAS】
【MDL】
MFCD01677660
【English Synonyms】
【Formula】
C16 H16 O3
【MolWeight】
256.299
【Inchi】
InChI=1S/C16H16O3/c1-2-12-3-5-14(6-4-12)16-17-9-15(10-18-16,11-19-16)13-7-8-13/h1,3-6,13H,7-11H2/t15-,16-
【InChIKey】
InChIKey=NOAIQTBLUUNEGS-WKILWMFISA-N
【SMILES】
C#Cc1ccc(cc1)[C@@]23OC[C@@](CO2)(CO3)C4CC4
【MOL File】
2,6,7-TRIOXABICYCLO(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 4-CYCLOPROPYL-1-(4-ETHYNYLPHENYL)-.cml