2-methylquinoline-3,4-dicarboxylic acid hydrate

Systemtic Name: 2-methylquinoline-3,4-dicarboxylic acid hydrate Openeye Name: 2-methylquinoline-3,4-dicarboxylic acid hydrate CAS Name: 2-methylquinoline-3,4-dicarboxylic acid hydrate IUPAC Name: 2-methylquinoline-3,4-dicarboxylic acid hydrate Traditional Name: 2-methylquinoline-3,4-dicarboxylic acid hydrate Formula: C12H11NO5 MolecularWeight: 249.21944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1C(=O)O)C(=O)O.O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1C(=O)O)C(=O)O.O

InChI

InChI=1S/C12H9NO4.H2O/c1-6-9(11(14)15)10(12(16)17)7-4-2-3-5-8(7)13-6;/h2-5H,1H3,(H,14,15)(H,16,17);1H2