Chem 3 Methoxy 2 Furaldehyde Dsrpl | Cheminformatics
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2D Structure

3-methoxy-2-furaldehyde


  • SKU Code: CH141208
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Chemical Name - 3-methoxy-2-furaldehyde
Mol Weight - 126.111
Smiles - COc1c(C=O)occ1
Property Name Property Value
Mol Name3-methoxy-2-furaldehyde
Molweight126.111
Monoisotopic Mass126.031695
Clogp0.7116
Clogs-1.64
H Acceptors3
Total Surface Area104.75
Relative Psa0.35465
Polar Surface Area39.44
Druglikeness-3.6099
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.66667
Molecular Flexibility0.33454
Molecular Complexity0.78387
Fragments1
Non H Atoms9
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds2
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms5
Sp3 Atoms2
SmilesCOc1c(C=O)occ1
InChIKeyInChI=1S/C6H6O3/c1-8-5-2-3-9-6(5)4-7/h2-4H,1H3
InChINEFRUHCNVKRDIP-UHFFFAOYSA-N

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