methyl benzoate; 4-methyloxetan-2-one

Systemtic Name: methyl benzoate; 4-methyloxetan-2-one Openeye Name: methyl benzoate; 4-methyloxetan-2-one CAS Name: benzoic acid methyl ester; 4-methyl-2-oxetanone IUPAC Name: methyl benzoate; 4-methyloxetan-2-one Traditional Name: benzoic acid methyl ester; 4-methyloxetan-2-one Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)O1.COC(=O)C1=CC=CC=C1

Isomeric SMILES

CC1CC(=O)O1.COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C8H8O2.C4H6O2/c1-10-8(9)7-5-3-2-4-6-7;1-3-2-4(5)6-3/h2-6H,1H3;3H,2H2,1H3