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Specification
The molecular formula of Ethyl 2,3,4,5,6-pentamethylbenzoylformate is C15H20O3.
The synonyms of Ethyl 2,3,4,5,6-pentamethylbenzoylformate are ETHYL 2,3,4,5,6-PENTAMETHYLBENZOYLFORMATE, 951888-76-9, MFCD00118666, ethyl 2-oxo-2-(pentamethylphenyl)acetate, ethyl 2-oxo-2-(2,3,4,5,6-pentamethylphenyl)acetate.
The molecular weight of Ethyl 2,3,4,5,6-pentamethylbenzoylformate is 248.32 g/mol.
The IUPAC name of Ethyl 2,3,4,5,6-pentamethylbenzoylformate is ethyl 2-oxo-2-(2,3,4,5,6-pentamethylphenyl)acetate.
The InChI of Ethyl 2,3,4,5,6-pentamethylbenzoylformate is InChI=1S/C15H20O3/c1-7-18-15(17)14(16)13-11(5)9(3)8(2)10(4)12(13)6/h7H2,1-6H3.
The InChIKey of Ethyl 2,3,4,5,6-pentamethylbenzoylformate is SCIVTBWGVQKNSH-UHFFFAOYSA-N.
The canonical SMILES of Ethyl 2,3,4,5,6-pentamethylbenzoylformate is CCOC(=O)C(=O)C1=C(C(=C(C(=C1C)C)C)C)C.
The XLogP3-AA value of Ethyl 2,3,4,5,6-pentamethylbenzoylformate is 3.8.
Ethyl 2,3,4,5,6-pentamethylbenzoylformate has 3 hydrogen bond acceptors.
Ethyl 2,3,4,5,6-pentamethylbenzoylformate has 4 rotatable bonds.