• ChemBase ID: 135849
• Molecular Formular: CO2
• Molecular Mass: 47.00161824
• Monoisotopic Mass: 47.00161824
• SMILES: [13C](=[17O])=[17O]
• Canonical SMILES: [17O]=[13C]=[17O]
• InChI: InChI=1S/CO2/c2-1-3/i1+1,2+1,3+1
• InChIKey: CURLTUGMZLYLDI-VMIGTVKRSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: Carbon-13C dioxide-17O2; 二氧化碳-13C-17O2

Database IDs

• MDL Number: MFCD00083912
• PubChem SID: 162230120
• PubChem CID: 71309441

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: M+3

Product Information

• Isotopic Purity: 60 atom % 17O; 99 atom % 13C
• Linear Formula: 13C17O2

DETAILS

Sigma Aldrich - 607185

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.