Chem Cyclobutanecarboxylic Acid | Cheminformatics
2D Structure

Cyclobutanecarboxylic acid


  • SKU Code: CH141703
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Chemical Name - Cyclobutanecarboxylic acid
Mol Weight - 100.117
Smiles - OC(C1CCC1)=O
Property Name Property Value
Mol NameCyclobutanecarboxylic acid
Molweight100.117
Monoisotopic Mass100.05243
Clogp0.361
Clogs-1.245
H Acceptors2
H Donors1
Total Surface Area77.88
Relative Psa0.33564
Polar Surface Area37.3
Druglikeness-2.3966
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.71429
Molecular Flexibility0.58694
Molecular Complexity0.69315
Fragments1
Non H Atoms7
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds1
Rings Closures1
Small Rings1
Sp3 Atoms5
Symmetric Atoms1
Acidic Oxygens1
SmilesOC(C1CCC1)=O
InChIKeyInChI=1S/C5H8O2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H,6,7)
InChITXWOGHSRPAYOML-UHFFFAOYSA-N

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