4-hydrazinyl-3-methoxybenzoic acid

• ChemBase ID: 243621
• Molecular Formular: C8H10N2O3
• Molecular Mass: 182.1766
• Monoisotopic Mass: 182.06914219
• SMILES: C(=O)(c1cc(c(cc1)NN)OC)O
• Canonical SMILES: COc1cc(ccc1NN)C(=O)O
• InChI: InChI=1S/C8H10N2O3/c1-13-7-4-5(8(11)12)2-3-6(7)10-9/h2-4,10H,9H2,1H3,(H,11,12)
• InChIKey: PYJRCAYPLLRVPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-3-methoxybenzoic acid
• IUPAC Traditional name: 4-hydrazinyl-3-methoxybenzoic acid
• Synonyms: 4-hydrazinyl-3-methoxybenzoic acid

Database IDs

• MDL Number: MFCD10000141
• PubChem SID: 164299531
• PubChem CID: 22111904

CALCULATED PROPERTIES

• Acid pKa: 4.110378
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.32007745
• LogD (pH = 7.4): -1.9959055
• Log P: -0.025040306
• Molar Refractivity: 49.4841 cm^3
• Polarizability: 17.785841 Å^3
• Polar Surface Area: 84.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 1.403

Product Information

• Purity: 95%