1H-Pyrazole-3-carboxylic acid, 4-nitro-, methyl ester - CAS 138786-86-4

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Catalog Number: M115730

CAS Number: 138786-86-4

PubChem Substance ID:355078904

Molecular Formula: C5H5N3O4

Molecular Weight:171.112

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Property

• Molecular Formula: C5H5N3O4
• Molecular Weight: 171.112
• Purity: ≥95%
• Storage: -20°C

Computed Descriptor

• IUPAC Name: methyl 4-nitro-1H-pyrazole-5-carboxylate
• InChI: InChI=1S/C5H5N3O4/c1-12-5(9)4-3(8(10)11)2-6-7-4/h2H,1H3,(H,6,7)
• InChIKey: ARAFBUCGMOKZMI-UHFFFAOYSA-N
• SMILES: COC(=O)C1=C(C=NN1)[N+](=O)[O-]