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2D Structure

Pivalic Acid


  • SKU Code: CH139622
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Chemical Name - Pivalic Acid
Mol Weight - 102.132
Smiles - CC(C)(C)C(O)=O
Property Name Property Value
Mol NamePivalic Acid
Molweight102.132
Monoisotopic Mass102.06808
Clogp0.9394
Clogs-1.066
H Acceptors2
H Donors1
Total Surface Area84.79
Relative Psa0.30829
Polar Surface Area37.3
Druglikeness-4.3757
Mutagenicnone
Tumorigenichigh
Reproductive Effectivelow
Irritantnone
Shape Index0.57143
Molecular Flexibility0.76962
Molecular Complexity0.53648
Fragments1
Non H Atoms7
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds1
Sp3 Atoms5
Symmetric Atoms2
Acidic Oxygens1
SmilesCC(C)(C)C(O)=O
InChIKeyInChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
InChIIUGYQRQAERSCNH-UHFFFAOYSA-N

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