20116-32-9
3-(1H,1H-NONAFLUOROPENTYL)-4-METHYLCYCLOPENTANE-1,1-DICARBOXYLIC ACID
Name3-(1H,1H-NONAFLUOROPENTYL)-4-METHYLCYCLOPENTANE-1,1-DICARBOXYLIC ACID
1Identification
【Name】
3-(1H,1H-NONAFLUOROPENTYL)-4-METHYLCYCLOPENTANE-1,1-DICARBOXYLIC ACID
【CAS】
【MDL】
MFCD01320755
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H13 F9 O4
【pro_molWeight】
404.224
【Inchi】
InChI=1S/C13H13F9O4/c1-5-2-9(7(23)24,8(25)26)3-6(5)4-10(14,15)11(16,17)12(18,19)13(20,21)22/h5-6H,2-4H2,1H3,(H,23,24)(H,25,26)
【InChIKey】
InChIKey=ZRDCDISSPANBPT-UHFFFAOYSA-N
【SMILES】
CC1CC(CC1CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(=O)O)C(=O)O
【MOL File】
3-(1H,1H-NONAFLUOROP….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:4
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-(1H,1H-NONAFLUOROPENTYL)-4-METHYLCYCLOPENTANE-1,1-DICARBOXYLIC ACID.cml