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Specification
The PubChem CID of 3-Formylphenyl pivalate is 11117215.
The molecular formula of 3-Formylphenyl pivalate is C12H14O3.
The molecular weight of 3-Formylphenyl pivalate is 206.24 g/mol.
The IUPAC name of 3-Formylphenyl pivalate is (3-formylphenyl) 2,2-dimethylpropanoate.
The InChI of 3-Formylphenyl pivalate is InChI=1S/C12H14O3/c1-12(2,3)11(14)15-10-6-4-5-9(7-10)8-13/h4-8H,1-3H3.
The InChIKey of 3-Formylphenyl pivalate is ZBNVLZQFBZYFSC-UHFFFAOYSA-N.
The canonical SMILES of 3-Formylphenyl pivalate is CC(C)(C)C(=O)OC1=CC=CC(=C1)C=O.
The CAS number of 3-Formylphenyl pivalate is 134518-89-1.
The XLogP3 value of 3-Formylphenyl pivalate is 2.5.
Yes, 3-Formylphenyl pivalate is a canonicalized compound.