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2D Structure

Paraldehyde


  • SKU Code: CH137043
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Chemical Name - Paraldehyde
Mol Weight - 132.158
Smiles - CC1OC(C)OC(C)O1
Property Name Property Value
Mol NameParaldehyde
Molweight132.158
Monoisotopic Mass132.078645
Clogp1.0389
Clogs-1.256
H Acceptors3
Total Surface Area104.28
Relative Psa0.28769
Polar Surface Area27.69
Druglikeness-1.5954
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.55556
Molecular Flexibility0.35207
Molecular Complexity0.65976
Fragments1
Non H Atoms9
Non Ch Atoms3
Electronegative Atoms3
Rings Closures1
Small Rings1
Sp3 Atoms9
Symmetric Atoms6
SmilesCC1OC(C)OC(C)O1
InChIKeyInChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
InChISQYNKIJPMDEDEG-UHFFFAOYSA-N

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