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Chemistry | Cheminformatics | Software | Chem 4 Methoxy Benzoic Acid

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4-Methoxy Benzoic Acid


  • SKU Code: CH137011
Chemical Name - 4-Methoxy Benzoic Acid
Mol Weight - 152.149
Smiles - COc(cc1)ccc1C(O)=O
Property Name Property Value
Mol Name4-Methoxy Benzoic Acid
Molweight152.149
Monoisotopic Mass152.047345
Clogp1.0747
Clogs-1.647
H Acceptors3
H Donors1
Total Surface Area119.62
Relative Psa0.30212
Polar Surface Area46.53
Druglikeness-1.597
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.72727
Molecular Flexibility0.44327
Molecular Complexity0.61821
Fragments1
Non H Atoms11
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds2
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms3
Symmetric Atoms2
Acidic Oxygens1
SmilesCOc(cc1)ccc1C(O)=O
InChIKeyInChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIZEYHEAKUIGZSGI-UHFFFAOYSA-N

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