(4-hydroxyphenyl)arsonic acid

• ChemBase ID: 108231
• Molecular Formular: C6H7AsO4
• Molecular Mass: 218.03898
• Monoisotopic Mass: 217.9560297
• SMILES: Oc1ccc(cc1)[As](=O)(O)O
• Canonical SMILES: Oc1ccc(cc1)[As](=O)(O)O
• InChI: InChI=1S/C6H7AsO4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4,8H,(H2,9,10,11)
• InChIKey: RSRFURJMCNJVOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-hydroxyphenyl)arsonic acid
• IUPAC Traditional name: 4-hydroxyphenylarsonic acid
• Synonyms: P-HYDROXYBENZENEARSONIC ACID

Database IDs

• CAS Number: 98-14-6
• PubChem SID: 162089212
• PubChem CID: 7373

CALCULATED PROPERTIES

• Acid pKa: 3.6341486
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.0818051
• LogD (pH = 7.4): -1.6225027
• Log P: 0.644
• Molar Refractivity: 34.0273 cm^3
• Polarizability: 16.563955 Å^3
• Polar Surface Area: 77.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05206574

MP Biomedicals Rare Chemical collection