Chem 3 Methoxy Benzaldehyde Clarion | Cheminformatics
2D Structure

3-Methoxy benzaldehyde


  • SKU Code: CH139964
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Chemical Name - 3-Methoxy benzaldehyde
Mol Weight - 136.15
Smiles - COc1cccc(C=O)c1
Property Name Property Value
Mol Name3-Methoxy benzaldehyde
Molweight136.15
Monoisotopic Mass136.05243
Clogp1.5229
Clogs-1.958
H Acceptors2
Total Surface Area115.06
Relative Psa0.20024
Polar Surface Area26.3
Druglikeness-3.9857
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Shape Index0.7
Molecular Flexibility0.41782
Molecular Complexity0.61821
Fragments1
Non H Atoms10
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds2
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms2
SmilesCOc1cccc(C=O)c1
InChIKeyInChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3
InChIWMPDAIZRQDCGFH-UHFFFAOYSA-N

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