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Specification
The molecular formula is C11H10O5.
The molecular weight is 222.19 g/mol.
The synonyms are 86358-30-7, ethyl 2-(benzo[d][1,3]dioxol-5-yl)-2-oxoacetate, ethyl 2-(1,3-benzodioxol-5-yl)-2-oxoacetate, ETHYL 3,4-(METHYLENEDIOXY)BENZOYLFORMATE, Benzo(1,3)dioxol-5-yl-oxo-acetic acid ethyl ester.
The IUPAC name is ethyl 2-(1,3-benzodioxol-5-yl)-2-oxoacetate.
The InChI is InChI=1S/C11H10O5/c1-2-14-11(13)10(12)7-3-4-8-9(5-7)16-6-15-8/h3-5H,2,6H2,1H3.
The InChIKey is ZYJHZYNSHIMYJQ-UHFFFAOYSA-N.
The canonical SMILES is CCOC(=O)C(=O)C1=CC2=C(C=C1)OCO2.
The CAS number is 86358-30-7.
Yes, it is a canonicalized compound.