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Specification
The molecular formula of methyl 3-fluorophenylacetate is C9H9FO2.
The molecular weight of methyl 3-fluorophenylacetate is 168.16 g/mol.
The IUPAC name of methyl 3-fluorophenylacetate is methyl 2-(3-fluorophenyl)acetate.
The InChI of methyl 3-fluorophenylacetate is "InChI=1S/C9H9FO2/c1-12-9(11)6-7-3-2-4-8(10)5-7/h2-5H,6H2,1H3".
The InChIKey of methyl 3-fluorophenylacetate is "OXYLCGRXCQARQV-UHFFFAOYSA-N".
The canonical SMILES of methyl 3-fluorophenylacetate is "COC(=O)CC1=CC(=CC=C1)F".
The CAS number of methyl 3-fluorophenylacetate is 64123-77-9.
Methyl 3-fluorophenylacetate has 3 hydrogen bond acceptor counts.
Yes, methyl 3-fluorophenylacetate is a canonicalized compound.