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2FT

Summary
Name:2,2-difluoropentanedioic acid
Formula:C5 H6 F2 O4
Formal charge:0
Formula weight:168.096 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.12,2-difluoropentanedioic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352OC(=O)CCC(F)(F)C(O)=O
SMILESCACTVS3.352OC(=O)CCC(F)(F)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0C(CC(C(=O)O)(F)F)C(=O)O
SMILESOpenEye OEToolkits1.7.0C(CC(C(=O)O)(F)F)C(=O)O
InChIInChI1.03InChI=1S/C5H6F2O4/c6-5(7,4(10)11)2-1-3(8)9/h1-2H2,(H,8,9)(H,10,11)
InChIKeyInChI1.03PIVAHSCRTJPWJU-UHFFFAOYSA-N

224931

数据于2024-09-11公开中

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