Chem Acetone 2suj | Cheminformatics
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2D Structure

Acetone


  • SKU Code: CH137112
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Chemical Name - Acetone
Mol Weight - 58.0796
Smiles - CC(C)=O
Property Name Property Value
Mol NameAcetone
Molweight58.0796
Monoisotopic Mass58.041865
Clogp0.3786
Clogs-0.906
H Acceptors1
Total Surface Area55.77
Relative Psa0.23382
Polar Surface Area17.07
Druglikeness-2.5577
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Shape Index0.75
Fragments1
Non H Atoms4
Non Ch Atoms1
Electronegative Atoms1
Sp3 Atoms2
Symmetric Atoms1
SmilesCC(C)=O
InChIKeyInChI=1S/C3H6O/c1-3(2)4/h1-2H3
InChICSCPPACGZOOCGX-UHFFFAOYSA-N

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