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9TY

Summary
Name:cyclopropane-1,1-dicarboxylic acid
Formula:C5 H6 O4
Formal charge:0
Formula weight:130.099 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01cyclopropane-1,1-dicarboxylic acid
OpenEye OEToolkits2.0.6cyclopropane-1,1-dicarboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(=O)(O)C1(C(O)=O)CC1
InChIInChI1.03InChI=1S/C5H6O4/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H,6,7)(H,8,9)
InChIKeyInChI1.03FDKLLWKMYAMLIF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)C1(CC1)C(O)=O
SMILESCACTVS3.385OC(=O)C1(CC1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6C1CC1(C(=O)O)C(=O)O
SMILESOpenEye OEToolkits2.0.6C1CC1(C(=O)O)C(=O)O

217705

PDB entries from 2024-03-27

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