2-[3-(2-methylphenyl)propyl]propanedioic acid

Systemtic Name: 2-[3-(2-methylphenyl)propyl]propanedioic acid Openeye Name: 2-[3-(o-tolyl)propyl]propanedioic acid CAS Name: 2-[3-(2-methylphenyl)propyl]propanedioic acid IUPAC Name: 2-[3-(2-methylphenyl)propyl]propanedioic acid Traditional Name: 2-[3-(o-tolyl)propyl]malonic acid Formula: C13H16O4 MolecularWeight: 236.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCCC(C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CCCC(C(=O)O)C(=O)O

InChI

InChI=1S/C13H16O4/c1-9-5-2-3-6-10(9)7-4-8-11(12(14)15)13(16)17/h2-3,5-6,11H,4,7-8H2,1H3,(H,14,15)(H,16,17)