1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid

• CAS: 1125-29-7
• Catalog Number: ACM1125297
• Category: Other Products
• Molecular Weight: 154.17
• Molecular Formula: C₇H₁₀N₂O₂
• Description: 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid is a marine derived natural products found in Cinachyrella sp.
• Synonyms: 4-Carboxy-1,3,5-trimethyl-1H-pyrazole
• IUPAC Name: 1,3,5-Trimethylpyrazole-4-carboxylic acid
• Canonical SMILES: CC1=C(C(=NN1C)C)C(=O)O
• InChI: InChI=1S/C7H10N2O2/c1-4-6(7(10)11)5(2)9(3)8-4/h1-3H3,(H,10,11)
• InChI Key: NOIOGQJFLIPRBI-UHFFFAOYSA-N
• Boiling Point: 297.6±35.0 °C
• Melting Point: 215-217 °C
• Density: 1.24±0.1 g/cm³
• Complexity: 172
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 154.074227566
• Heavy Atom Count: 11
• Monoisotopic Mass: 154.074227566
• Physical State: Powder
• Storage Conditions: Powder: -20°C for 3 years In solvent: -80°C for 2 years
• Topological Polar Surface Area: 55.1 Ų