• ChemBase ID: 135289
• Molecular Formular: CO2
• Molecular Mass: 43.98982924
• Monoisotopic Mass: 43.98982924
• SMILES: [12C](=[16O])=[16O]
• Canonical SMILES: [16O]=[12C]=[16O]
• InChI: InChI=1S/CO2/c2-1-3/i1+0,2+0,3+0
• InChIKey: CURLTUGMZLYLDI-SXRZRGFPSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: Carbon-12C dioxide-16O2; 二氧化碳-12C-16O2

Database IDs

• MDL Number: MFCD00198159
• PubChem SID: 162229564
• PubChem CID: 71309201

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.2789571
• LogD (pH = 7.4): -0.2789571
• Log P: -0.2789571
• Molar Refractivity: 6.3844 cm^3
• Polarizability: 2.6601136 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: depleted

Product Information

• Isotopic Purity: 99.9 atom % 12C; 99.93 atom % 16O

DETAILS

Sigma Aldrich - 607274

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.