Chem Iso Butyric Acid Lokc | Cheminformatics
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2D Structure

Iso Butyric Acid


  • SKU Code: CH141977
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Chemical Name - Iso Butyric Acid
Mol Weight - 88.1055
Smiles - CC(C)C(O)=O
InChI - KQNPFQTWMSNSAP-UHFFFAOYSA-N
InChIKey - InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
Property Name Property Value
Mol NameIso Butyric Acid
Molweight88.1055
Monoisotopic Mass88.05243
Clogp0.3736
Clogs-0.889
H Acceptors2
H Donors1
Total Surface Area74.62
Relative Psa0.35031
Polar Surface Area37.3
Druglikeness-2.82
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.66667
Molecular Flexibility0.81127
Molecular Complexity0.80472
Fragments1
Non H Atoms6
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds1
Sp3 Atoms4
Symmetric Atoms1
Acidic Oxygens1
SmilesCC(C)C(O)=O
InChIKeyInChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
InChIKQNPFQTWMSNSAP-UHFFFAOYSA-N

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