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Chem Cyclobutane 11 Dicarboxylic Acid | Cheminformatics

Cyclobutane-1,1-dicarboxylic acid


  • SKU Code: CH141702
Chemical Name - Cyclobutane-1,1-dicarboxylic acid
Mol Weight - 144.126
Smiles - OC(C1(CCC1)C(O)=O)=O
Property Name Property Value
Mol NameCyclobutane-1,1-dicarboxylic acid
Molweight144.126
Monoisotopic Mass144.04226
Clogp-0.5838
Clogs-0.897
H Acceptors4
H Donors2
Total Surface Area99.89
Relative Psa0.52338
Polar Surface Area74.6
Druglikeness-5.327
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.5
Molecular Flexibility0.59925
Molecular Complexity0.68024
Fragments1
Non H Atoms10
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds2
Rings Closures1
Small Rings1
Sp3 Atoms6
Symmetric Atoms4
Acidic Oxygens2
SmilesOC(C1(CCC1)C(O)=O)=O
InChIKeyInChI=1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)
InChICCQPAEQGAVNNIA-UHFFFAOYSA-N

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