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Specification
The molecular formula of Ethyl 2,4-dimethylbenzoylformate is C12H14O3.
The synonyms of Ethyl 2,4-dimethylbenzoylformate are ETHYL 2,4-DIMETHYLBENZOYLFORMATE, 80120-33-8, ethyl 2-(2,4-dimethylphenyl)-2-oxoacetate, MFCD09801408, DTXSID20531008.
The molecular weight of Ethyl 2,4-dimethylbenzoylformate is 206.24 g/mol.
The IUPAC name of Ethyl 2,4-dimethylbenzoylformate is ethyl 2-(2,4-dimethylphenyl)-2-oxoacetate.
The InChI of Ethyl 2,4-dimethylbenzoylformate is InChI=1S/C12H14O3/c1-4-15-12(14)11(13)10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3.
The InChIKey of Ethyl 2,4-dimethylbenzoylformate is FMYSICOONSJFBX-UHFFFAOYSA-N.
The canonical SMILES of Ethyl 2,4-dimethylbenzoylformate is CCOC(=O)C(=O)C1=C(C=C(C=C1)C)C.
The CAS number of Ethyl 2,4-dimethylbenzoylformate is 80120-33-8.
The XLogP3-AA value of Ethyl 2,4-dimethylbenzoylformate is 2.8.
Yes, Ethyl 2,4-dimethylbenzoylformate is a canonicalized compound.