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Chem 3366 Tetramethoxy 14 Cyclohexadiene Dsrpl | Cheminformatics

3,3,6,6-Tetramethoxy-1,4-cyclohexadiene


  • SKU Code: CH141400
Chemical Name - 3,3,6,6-Tetramethoxy-1,4-cyclohexadiene
Mol Weight - 200.233
Smiles - COC(C=C1)(C=CC1(OC)OC)OC
Property Name Property Value
Mol Name3,3,6,6-Tetramethoxy-1,4-cyclohexadiene
Molweight200.233
Monoisotopic Mass200.10486
Clogp0.6868
Clogs-0.774
H Acceptors4
Total Surface Area162.86
Relative Psa0.24561
Polar Surface Area36.92
Druglikeness-13.356
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.57143
Molecular Flexibility0.60978
Molecular Complexity0.56985
Fragments1
Non H Atoms14
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds4
Rings Closures1
Small Rings1
Sp3 Atoms10
Symmetric Atoms10
SmilesCOC(C=C1)(C=CC1(OC)OC)OC
InChIKeyInChI=1S/C10H16O4/c1-11-9(12-2)5-7-10(13-3,14-4)8-6-9/h5-8H,1-4H3
InChILJAWVXAZDYVFNU-UHFFFAOYSA-N

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