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Chem Ethyl Aceto Acetate 2deep | Cheminformatics

Ethyl Aceto Acetate


  • SKU Code: CH137327
Chemical Name - Ethyl Aceto Acetate
Mol Weight - 130.142
Smiles - CCOC(CC(C)=O)=O
Property Name Property Value
Mol NameEthyl Aceto Acetate
Molweight130.142
Monoisotopic Mass130.062995
Clogp0.3909
Clogs-1.079
H Acceptors3
Total Surface Area111.04
Relative Psa0.32493
Polar Surface Area43.37
Druglikeness-23.738
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.77778
Molecular Flexibility0.68848
Molecular Complexity0.57565
Fragments1
Non H Atoms9
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds4
Sp3 Atoms5
SmilesCCOC(CC(C)=O)=O
InChIKeyInChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
InChIXYIBRDXRRQCHLP-UHFFFAOYSA-N

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1 - Ethyl Aceto Acetate
2 - Ethyl Aceto Acetate
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