methanidylidyne(17O)oxidanium

• ChemBase ID: 135299
• Molecular Formular: CO
• Molecular Mass: 29.0098317
• Monoisotopic Mass: 28.9991317
• SMILES: [C-]#[17O+]
• Canonical SMILES: [C-]#[17O+]
• InChI: InChI=1S/CO/c1-2/i2+1
• InChIKey: UGFAIRIUMAVXCW-VQEHIDDOSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• EC Number: 211-128-3
• MDL Number: MFCD00083860
• PubChem SID: 162229574
• PubChem CID: 71309209

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

• Mass Shift: M+1

Safety Information

• RTECS: FG3500000
• European Hazard Symbols: Highly flammable (F+); Toxic (T)
• UN Number: 1016
• German water hazard class: 1
• Hazard Class: 2.3
• Risk Statements: 61-12-23-48/23
• Safety Statements: 53-45
• GHS Pictograms: GHS02; GHS04; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H220-H280-H331-H360D-H372
• GHS Precautionary statements: P201-P210-P261-P311-P410 + P403
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1016 2.3

Product Information

• Isotopic Purity: 45 atom % 17O
• Linear Formula: C17O

DETAILS

Sigma Aldrich - 617571

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.