5-[(3-methylphenyl)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(3-methylphenyl)methyl]furan-2-carboxylic acid Openeye Name: 5-(m-tolylmethyl)furan-2-carboxylic acid CAS Name: 5-[(3-methylphenyl)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(3-methylphenyl)methyl]furan-2-carboxylic acid Traditional Name: 5-(3-methylbenzyl)-2-furoic acid Formula: C13H12O3 MolecularWeight: 216.23258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CC2=CC=C(O2)C(=O)O

InChI

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