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
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C9H9FO4
【pro_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
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:-0.2789
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-OXABICYCLO[2.2.2]OCT-7-ENE-6-CARBOXYLIC ACID,4-FLUORO-3-OXO-,METHYL ESTER,(1R,4S,6R)-REL-.cml