potassium (2H)formate

• ChemBase ID: 136818
• Molecular Formular: CHKO2
• Molecular Mass: 84.11574
• Monoisotopic Mass: 83.96136095
• SMILES: C(=O)[O-].[K+]
• Canonical SMILES: [O-]C=O.[K+]
• InChI: InChI=1S/CH2O2.K/c2-1-3;/h1H,(H,2,3);/q;+1/p-1
• InChIKey: WFIZEGIEIOHZCP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (^2H)formate
• IUPAC Traditional name: potassium (^2H)formate
• Synonyms: Formic-d acid potassium salt; Potassium formate-d; 蚁酸-d 钾盐; 甲酸钾-d

Database IDs

• CAS Number: 57444-81-2
• MDL Number: MFCD00074863
• PubChem SID: 162231086; 24858369
• PubChem CID: 23663899

CALCULATED PROPERTIES

• Acid pKa: 4.269118
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5255477
• LogD (pH = 7.4): -3.257304
• Log P: -0.27204442
• Molar Refractivity: 18.9903 cm^3
• Polarizability: 3.1383486 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169-171 °C(lit.)
• Mass Shift: M+1

Safety Information

• German water hazard class: 3

Product Information

• Isotopic Purity: 99 atom % D
• Linear Formula: DCO2K

DETAILS

Sigma Aldrich - 304387

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.