methyl 1-methyl-1H-indazole-3-carboxylate

• ChemBase ID: 812660
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: c1(nn(c2ccccc12)C)C(=O)OC
• Canonical SMILES: COC(=O)c1nn(c2c1cccc2)C
• InChI: InChI=1S/C10H10N2O2/c1-12-8-6-4-3-5-7(8)9(11-12)10(13)14-2/h3-6H,1-2H3
• InChIKey: MTCWFNXKOCOIJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-methyl-1H-indazole-3-carboxylate
• IUPAC Traditional name: methyl 1-methylindazole-3-carboxylate
• Synonyms: METHYL 1-METHYL-3-INDAZOLECARBOXYLATE

Database IDs

• CAS Number: 109216-60-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.609311
• LogD (pH = 7.4): 1.609311
• Log P: 1.609311
• Molar Refractivity: 62.9424 cm^3
• Polarizability: 20.835962 Å^3
• Polar Surface Area: 44.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%