2-[(2-hydroxyphenyl)amino]acetic acid

• ChemBase ID: 258182
• Molecular Formular: C8H9NO3
• Molecular Mass: 167.16196
• Monoisotopic Mass: 167.05824315
• SMILES: N(c1c(O)cccc1)CC(=O)O
• Canonical SMILES: OC(=O)CNc1ccccc1O
• InChI: InChI=1S/C8H9NO3/c10-7-4-2-1-3-6(7)9-5-8(11)12/h1-4,9-10H,5H2,(H,11,12)
• InChIKey: QDAYZTZGLPEDOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-hydroxyphenyl)amino]acetic acid
• IUPAC Traditional name: [(2-hydroxyphenyl)amino]acetic acid
• Synonyms: [(2-hydroxyphenyl)amino]acetic acid

Database IDs

• MDL Number: MFCD09037279
• PubChem SID: 164314092
• PubChem CID: 17607423

CALCULATED PROPERTIES

• Molar Refractivity: 44.3173 cm^3
• Polarizability: 16.31505 Å^3
• Polar Surface Area: 69.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 2.3357782
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.4413939
• LogD (pH = 7.4): -2.5403662
• Log P: -0.9460522

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.439

Product Information

• Purity: 95%