4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-benzoic acid

Systemtic Name: 4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-benzoic acid Openeye Name: 4-[5-(hydroxymethyl)-2-furyl]-3-methyl-benzoic acid CAS Name: 4-[5-(hydroxymethyl)-2-furanyl]-3-methylbenzoic acid IUPAC Name: 4-[5-(hydroxymethyl)furan-2-yl]-3-methylbenzoic acid Traditional Name: 3-methyl-4-(5-methylol-2-furyl)benzoic acid Formula: C13H12O4 MolecularWeight: 232.23198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)CO

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)CO

InChI

InChI=1S/C13H12O4/c1-8-6-9(13(15)16)2-4-11(8)12-5-3-10(7-14)17-12/h2-6,14H,7H2,1H3,(H,15,16)