847823-47-6
2-OXABICYCLO[2.2.2]OCT-7-ENE-6-CARBOXYLIC ACID,4-FLUORO-3-OXO-,METHYL ESTER,(1R,4S,6R)-REL-
Name2-OXABICYCLO[2.2.2]OCT-7-ENE-6-CARBOXYLIC ACID,4-FLUORO-3-OXO-,METHYL ESTER,(1R,4S,6R)-REL-
1Identification
【Name】
2-OXABICYCLO[2.2.2]OCT-7-ENE-6-CARBOXYLIC ACID,4-FLUORO-3-OXO-,METHYL ESTER,(1R,4S,6R)-REL-
【CAS】
【MDL】
MFCD17017904
【English Synonyms】
【Formula】
C9H9FO4
【MolWeight】
200.164
【Inchi】
InChI=1S/C9H9FO4/c1-13-7(11)5-4-9(10)3-2-6(5)14-8(9)12/h2-3,5-6H,4H2,1H3/t5-,6-,9-/m1/s1
【InChIKey】
InChIKey=JREYYXVHNAVSDP-HCVRKRLWSA-N
【SMILES】
[H][C@]12OC(=O)[C@](F)(C[C@H]1C(=O)OC)C=C2
【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-6-CARBOXYLIC ACID,4-FLUORO-3-OXO-,METHYL ESTER,(1R,4S,6R)-REL-.cml