sodium methyl arsorate

• ChemBase ID: 128447
• Molecular Formular: CH3AsNaO4-
• Molecular Mass: 176.94349
• Monoisotopic Mass: 176.91449886
• SMILES: [Na+].[O-][As](=O)([O-])OC
• Canonical SMILES: CO[As](=O)([O-])[O-].[Na+]
• InChI: InChI=1S/CH5AsO4.Na/c1-6-2(3,4)5;/h1H3,(H2,3,4,5);/q;+1/p-2
• InChIKey: RDXKFMGONHCKSA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium methyl arsorate
• IUPAC Traditional name: sodium methyl arsorate
• Synonyms: Monosodium methyl arsenate; sodium methylarsonate; monosodium methane arsonate; methyl arsonic acid monosodium salt; EPA Pesticide Chemical Code 013803; Monosodium methyl arsenate

Database IDs

• CAS Number: 2163-80-6
• PubChem SID: 162222754
• PubChem CID: 18785194; 23664719
• Chemspider ID: 13732108
• Wikipedia Title: Monosodium_methyl_arsenate

CALCULATED PROPERTIES

• Acid pKa: 3.1866586
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.4791405
• LogD (pH = 7.4): -3.1367252
• Log P: -0.4821
• Molar Refractivity: 11.3756 cm^3
• Polarizability: 9.081668 Å^3
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true