Chem Diacetyl Karoma | Cheminformatics
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2D Structure

Diacetyl


  • SKU Code: CH140048
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Chemical Name - Diacetyl
Mol Weight - 86.0896
Smiles - CC(C(C)=O)=O
Property Name Property Value
Mol NameDiacetyl
Molweight86.0896
Monoisotopic Mass86.03678
Clogp-0.22
Clogs-0.828
H Acceptors2
Total Surface Area73.52
Relative Psa0.35473
Polar Surface Area34.14
Druglikeness-3.8923
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Shape Index0.66667
Molecular Flexibility0.72949
Molecular Complexity0.80472
Fragments1
Non H Atoms6
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds1
Sp3 Atoms2
Symmetric Atoms3
SmilesCC(C(C)=O)=O
InChIKeyInChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
InChIQSJXEFYPDANLFS-UHFFFAOYSA-N

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