methyl 1H-pyrazole-4-carboxylate hydrate

Systemtic Name: methyl 1H-pyrazole-4-carboxylate hydrate Openeye Name: methyl 1H-pyrazole-4-carboxylate hydrate CAS Name: 1H-pyrazole-4-carboxylic acid methyl ester hydrate IUPAC Name: methyl 1H-pyrazole-4-carboxylate hydrate Traditional Name: 1H-pyrazole-4-carboxylic acid methyl ester hydrate Formula: C10H14N4O5 MolecularWeight: 270.24196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNN=C1.COC(=O)C1=CNN=C1.O

Isomeric SMILES

COC(=O)C1=CNN=C1.COC(=O)C1=CNN=C1.O

InChI

InChI=1S/2C5H6N2O2.H2O/c2*1-9-5(8)4-2-6-7-3-4;/h2*2-3H,1H3,(H,6,7);1H2