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Methyl Aceto Acetate


  • SKU Code: CH136992
Chemical Name - Methyl Aceto Acetate
Mol Weight - 116.116
Smiles - CC(CC(OC)=O)=O
Property Name Property Value
Mol NameMethyl Aceto Acetate
Molweight116.116
Monoisotopic Mass116.047345
Clogp-0.0154
Clogs-0.779
H Acceptors3
Total Surface Area97.28
Relative Psa0.37089
Polar Surface Area43.37
Druglikeness-16.825
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.75
Molecular Flexibility0.73937
Molecular Complexity0.69315
Fragments1
Non H Atoms8
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds3
Sp3 Atoms4
SmilesCC(CC(OC)=O)=O
InChIKeyInChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
InChIWRQNANDWMGAFTP-UHFFFAOYSA-N

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