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Chem 56 Dimethoxy 1 Indanone | Cheminformatics

5,6-Dimethoxy-1-Indanone


  • SKU Code: CH138470
Chemical Name - 5,6-Dimethoxy-1-Indanone
Mol Weight - 192.213
Smiles - COc(c(OC)c1)cc(CC2)c1C2=O
Property Name Property Value
Mol Name5,6-Dimethoxy-1-Indanone
Molweight192.213
Monoisotopic Mass192.078645
Clogp1.7836
Clogs-2.655
H Acceptors3
Total Surface Area149.55
Relative Psa0.22093
Polar Surface Area35.53
Druglikeness-1.7243
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.57143
Molecular Flexibility0.25012
Molecular Complexity0.75903
Fragments1
Non H Atoms14
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds2
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms6
SmilesCOc(c(OC)c1)cc(CC2)c1C2=O
InChIKeyInChI=1S/C11H12O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6H,3-4H2,1-2H3
InChIIHMQOBPGHZFGLC-UHFFFAOYSA-N

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1 - 5,6-Dimethoxy-1-Indanone
2 - 5,6-Dimethoxy-1-Indanone
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