2-[(3-methylphenyl)methyl]furan-3-carboxylic acid

Systemtic Name: 2-[(3-methylphenyl)methyl]furan-3-carboxylic acid Openeye Name: 2-(m-tolylmethyl)furan-3-carboxylic acid CAS Name: 2-[(3-methylphenyl)methyl]-3-furancarboxylic acid IUPAC Name: 2-[(3-methylphenyl)methyl]furan-3-carboxylic acid Traditional Name: 2-(3-methylbenzyl)-3-furoic acid Formula: C13H12O3 MolecularWeight: 216.23258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=C(C=CO2)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CC2=C(C=CO2)C(=O)O

InChI

InChI=1S/C13H12O3/c1-9-3-2-4-10(7-9)8-12-11(13(14)15)5-6-16-12/h2-7H,8H2,1H3,(H,14,15)