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Chem Methyl Acetate 2 | Cheminformatics

Methyl Acetate


  • SKU Code: CH136817
Chemical Name - Methyl Acetate
Mol Weight - 74.0786
Smiles - CC(OC)=O
Property Name Property Value
Mol NameMethyl Acetate
Molweight74.0786
Monoisotopic Mass74.03678
Clogp0.1288
Clogs-0.587
H Acceptors2
Total Surface Area65.77
Relative Psa0.35031
Polar Surface Area26.3
Druglikeness-3.1411
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.8
Molecular Flexibility0.040646
Molecular Complexity0.69315
Fragments1
Non H Atoms5
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds1
Sp3 Atoms3
SmilesCC(OC)=O
InChIKey
InChIC3H6O2

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1 - Methyl Acetate
2 - Methyl Acetate
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