Chem Isobutyraldehyde Pacific | Cheminformatics
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2D Structure

Isobutyraldehyde


  • SKU Code: CH139009
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Chemical Name - Isobutyraldehyde
Mol Weight - 72.1065
Smiles - CC(C)C=O
Property Name Property Value
Mol NameIsobutyraldehyde
Molweight72.1065
Monoisotopic Mass72.057515
Clogp0.5109
Clogs-1.122
H Acceptors1
Total Surface Area70.06
Relative Psa0.18613
Polar Surface Area17.07
Druglikeness-5.9941
Mutagenicnone
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Shape Index0.8
Molecular Flexibility0.62977
Molecular Complexity0.54931
Fragments1
Non H Atoms5
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds1
Sp3 Atoms3
Symmetric Atoms1
SmilesCC(C)C=O
InChIKeyInChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
InChIAMIMRNSIRUDHCM-UHFFFAOYSA-N

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