1-tert-butylpyrazole-4-carboxylic acid

Systemtic Name: 1-tert-butylpyrazole-4-carboxylic acid Openeye Name: 1-tert-butylpyrazole-4-carboxylic acid CAS Name: 1-tert-butyl-4-pyrazolecarboxylic acid IUPAC Name: 1-tert-butylpyrazole-4-carboxylic acid Traditional Name: 1-tert-butylpyrazole-4-carboxylic acid Formula: C8H12N2O2 MolecularWeight: 168.19308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C=N1)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C=N1)C(=O)O

InChI

InChI=1S/C8H12N2O2/c1-8(2,3)10-5-6(4-9-10)7(11)12/h4-5H,1-3H3,(H,11,12)