CAS
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Specification
The molecular formula is C12H14O4.
The molecular weight is 222.24 g/mol.
The IUPAC name is ethyl 2-(4-methoxy-3-methylphenyl)-2-oxoacetate.
The InChI is InChI=1S/C12H14O4/c1-4-16-12(14)11(13)9-5-6-10(15-3)8(2)7-9/h5-7H,4H2,1-3H3.
The InChIKey is RRLPISAPBOSKFR-UHFFFAOYSA-N.
The canonical SMILES is CCOC(=O)C(=O)C1=CC(=C(C=C1)OC)C.
The CAS number is 859979-73-0.
The XLogP3-AA value is 2.4.
It has 0 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.