ammonium 2-hydroxypropanoate

• ChemBase ID: 109648
• Molecular Formular: C3H9NO3
• Molecular Mass: 107.10846
• Monoisotopic Mass: 107.05824315
• SMILES: [NH4+].CC(O)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(O)C.[NH4+]
• InChI: InChI=1S/C3H6O3.H3N/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H3
• InChIKey: RZOBLYBZQXQGFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium 2-hydroxypropanoate
• IUPAC Traditional name: ammonium lactate
• Synonyms: AMMONIUM LACTATE, 80% SYRUP

Database IDs

• CAS Number: 515-98-0
• PubChem SID: 162095251
• PubChem CID: 62358

CALCULATED PROPERTIES

• Acid pKa: 3.7849424
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1885695
• LogD (pH = 7.4): -3.7410624
• Log P: -0.4718295
• Molar Refractivity: 29.6769 cm^3
• Polarizability: 7.4274864 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true