Chem N Butyraldehyde 2bba | Cheminformatics
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2D Structure

N-Butyraldehyde


  • SKU Code: CH138752
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Chemical Name - N-Butyraldehyde
Mol Weight - 72.1065
Smiles - CCCC=O
Property Name Property Value
Mol NameN-Butyraldehyde
Molweight72.1065
Monoisotopic Mass72.057515
Clogp0.747
Clogs-1.232
H Acceptors1
Total Surface Area72.82
Relative Psa0.17907
Polar Surface Area17.07
Druglikeness-6.6072
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index1
Molecular Flexibility0.69473
Molecular Complexity0.54931
Fragments1
Non H Atoms5
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds2
Sp3 Atoms3
SmilesCCCC=O
InChIKeyInChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
InChIZTQSAGDEMFDKMZ-UHFFFAOYSA-N

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