$l^{1}-nickel(1+) ion 2-hydroxypropanoate

• ChemBase ID: 110763
• Molecular Formular: C3H5NiO3
• Molecular Mass: 147.7634
• Monoisotopic Mass: 146.95921192
• SMILES: [Ni+].CC(O)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(O)C.[Ni+]
• InChI: InChI=1S/C3H6O3.Ni/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1
• InChIKey: RTLCHKXGEDGJOG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: $l^{1}-nickel(1+) ion 2-hydroxypropanoate
• IUPAC Traditional name: nickel(1+) lactate
• Synonyms: NICKEL LACTATE

Database IDs

• CAS Number: 59836-85-0
• PubChem SID: 162096939
• PubChem CID: 44135663

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