5-methyl-4H-pyrazole-1,5-dicarboxylic acid

Systemtic Name: 5-methyl-4H-pyrazole-1,5-dicarboxylic acid Openeye Name: 5-methyl-4H-pyrazole-1,5-dicarboxylic acid CAS Name: 5-methyl-4H-pyrazole-1,5-dicarboxylic acid IUPAC Name: 5-methyl-4H-pyrazole-1,5-dicarboxylic acid Traditional Name: 5-methyl-2-pyrazoline-1,5-dicarboxylic acid Formula: C6H8N2O4 MolecularWeight: 172.13872

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=NN1C(=O)O)C(=O)O

Isomeric SMILES

CC1(CC=NN1C(=O)O)C(=O)O

InChI

InChI=1S/C6H8N2O4/c1-6(4(9)10)2-3-7-8(6)5(11)12/h3H,2H2,1H3,(H,9,10)(H,11,12)