847823-45-4
2-OXABICYCLO[2.2.2]OCT-7-ENE-5-CARBOXYLIC ACID,4-FLUORO-3-OXO-,METHYL ESTER,(1R,4S,5S)-REL-
Name2-OXABICYCLO[2.2.2]OCT-7-ENE-5-CARBOXYLIC ACID,4-FLUORO-3-OXO-,METHYL ESTER,(1R,4S,5S)-REL-
1Identification
【Name】
2-OXABICYCLO[2.2.2]OCT-7-ENE-5-CARBOXYLIC ACID,4-FLUORO-3-OXO-,METHYL ESTER,(1R,4S,5S)-REL-
【CAS】
【MDL】
MFCD17017902
【English Synonyms】
【Formula】
C9H9FO4
【MolWeight】
200.164
【Inchi】
InChI=1S/C9H9FO4/c1-13-7(11)6-4-5-2-3-9(6,10)8(12)14-5/h2-3,5-6H,4H2,1H3/t5-,6-,9-/m0/s1
【InChIKey】
InChIKey=CMQMARKWTHWAFS-WATHFIQWSA-N
【SMILES】
[H][C@@]12C[C@@H](C(=O)OC)[C@@](F)(C=C1)C(=O)O2
【MOL File】
2-OXABICYCLO[2.2.2]O….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:-0.2789
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-OXABICYCLO[2.2.2]OCT-7-ENE-5-CARBOXYLIC ACID,4-FLUORO-3-OXO-,METHYL ESTER,(1R,4S,5S)-REL-.cml