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Chem Propionaldehyde | Cheminformatics

Propionaldehyde


  • SKU Code: CH138559
Chemical Name - Propionaldehyde
Mol Weight - 58.0796
Smiles - CCC=O
Property Name Property Value
Mol NamePropionaldehyde
Molweight58.0796
Monoisotopic Mass58.041865
Clogp0.2926
Clogs-0.962
H Acceptors1
Total Surface Area59.06
Relative Psa0.22079
Polar Surface Area17.07
Druglikeness-4.5934
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index1
Molecular Flexibility0.79521
Fragments1
Non H Atoms4
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds1
Sp3 Atoms2
SmilesCCC=O
InChIKeyInChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
InChINBBJYMSMWIIQGU-UHFFFAOYSA-N

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