Chem Methyl Propyl Ketone Lokc | Cheminformatics
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2D Structure

Methyl Propyl Ketone


  • SKU Code: CH141979
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Chemical Name - Methyl Propyl Ketone
Mol Weight - 86.1334
Smiles - CCCC(C)=O
InChI - XNLICIUVMPYHGG-UHFFFAOYSA-N
InChIKey - InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
Property Name Property Value
Mol NameMethyl Propyl Ketone
Molweight86.1334
Monoisotopic Mass86.073165
Clogp1.2874
Clogs-1.446
H Acceptors1
Total Surface Area83.29
Relative Psa0.15656
Polar Surface Area17.07
Druglikeness-5.3481
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.83333
Molecular Flexibility0.63048
Molecular Complexity0.69315
Fragments1
Non H Atoms6
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds2
Sp3 Atoms4
SmilesCCCC(C)=O
InChIKeyInChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
InChIXNLICIUVMPYHGG-UHFFFAOYSA-N

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