(12C)methanidylidyne(17O)oxidanium

• ChemBase ID: 135870
• Molecular Formular: CO
• Molecular Mass: 28.9991317
• Monoisotopic Mass: 28.9991317
• SMILES: [12C-]#[17O+]
• Canonical SMILES: [12C-]#[17O+]
• InChI: InChI=1S/CO/c1-2/i1+0,2+1
• InChIKey: UGFAIRIUMAVXCW-DZEMCFCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^2C)methanidylidyne(^1^7O)oxidanium
• IUPAC Traditional name: (^1^2C)methanidylidyne(^1^7O)oxidanium
• Synonyms: Carbon-12C monoxide-17O; 一氧化碳-12C-17O

Database IDs

• MDL Number: MFCD08460913
• PubChem SID: 162230141
• PubChem CID: 71309458

CALCULATED PROPERTIES

• Acid pKa: 15.189176
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -3.9616656
• LogD (pH = 7.4): -3.9616656
• Log P: -3.9616656
• Molar Refractivity: 26.2298 cm^3
• Polarizability: 2.2798557 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -205 °C(lit.)
• Boiling Point: -191.5 °C(lit.)
• Mass Shift: M+1

Product Information

• Isotopic Purity: 35 atom % 17O; 99.9 atom % 12C
• Mol. Weight: mol wt 29.00 by atom % calculation
• Linear Formula: 12C17O

DETAILS

Sigma Aldrich - 607258

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.