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Chem Di Ethyl Malonate | Cheminformatics

Di Ethyl Malonate


  • SKU Code: CH137314
Chemical Name - Di Ethyl Malonate
Mol Weight - 160.168
Smiles - CCOC(CC(OCC)=O)=O
Property Name Property Value
Mol NameDi Ethyl Malonate
Molweight160.168
Monoisotopic Mass160.07356
Clogp0.5474
Clogs-1.06
H Acceptors4
Total Surface Area134.8
Relative Psa0.34184
Polar Surface Area52.6
Druglikeness-24.369
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.81818
Molecular Flexibility0.70959
Molecular Complexity0.51299
Fragments1
Non H Atoms11
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds6
Sp3 Atoms7
Symmetric Atoms5
SmilesCCOC(CC(OCC)=O)=O
InChIKeyInChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
InChIIYXGSMUGOJNHAZ-UHFFFAOYSA-N

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