methanidylidyne(18O)oxidanium

• ChemBase ID: 135302
• Molecular Formular: CO
• Molecular Mass: 30.009861
• Monoisotopic Mass: 29.999161
• SMILES: [C-]#[18O+]
• Canonical SMILES: [C-]#[18O+]
• InChI: InChI=1S/CO/c1-2/i2+2
• InChIKey: UGFAIRIUMAVXCW-HQMMCQRPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methanidylidyne(^1^8O)oxidanium
• IUPAC Traditional name: methanidylidyne(^1^8O)oxidanium
• Synonyms: Carbon monoxide-18O; Carbon-12C monoxide-18O; 一氧化碳-18O; 一氧化碳-12C-18O

Database IDs

• MDL Number: MFCD00083861
• PubChem SID: 162229577
• PubChem CID: 11263463

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+2

Safety Information

• 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-H331-H360D-H372
• GHS Precautionary statements: P201-P210-P261-P311
• RID/ADR: UN 1016 2.3

Product Information

• Purity: 99% (CP)
• Isotopic Purity: 95 atom % 18O; 99.9 atom % 12C
• Mol. Weight: mol wt 29.91 by atom % calculation
• Linear Formula: 12C18O; C18O

DETAILS

Sigma Aldrich - 607177

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.

Sigma Aldrich - 609706

Packaging
1 L in steel cylinder
Lecture bottle with brass CGA 110/180 valve
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.
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