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2D Structure

2-Methyl Anisole


  • SKU Code: CH141876
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Chemical Name - 2-Methyl Anisole
Mol Weight - 122.166
Smiles - Cc(cccc1)c1OC
InChI - DTFKRVXLBCAIOZ-UHFFFAOYSA-N
InChIKey - InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
Property Name Property Value
Mol Name2-Methyl Anisole
Molweight122.166
Monoisotopic Mass122.073165
Clogp1.9335
Clogs-1.978
H Acceptors1
Total Surface Area107.78
Relative Psa0.092782
Polar Surface Area9.23
Druglikeness-2.1128
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.66667
Molecular Flexibility0.28257
Molecular Complexity0.69315
Fragments1
Non H Atoms9
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms3
SmilesCc(cccc1)c1OC
InChIKeyInChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
InChIDTFKRVXLBCAIOZ-UHFFFAOYSA-N

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