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1111-72-4

1111-72-4 structural image
Product Name: CARBON-13C DIOXIDE
Formula: CO2
Synonyms: 13C Labeled carbon dioxide;13CO2
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Gas Cylinder
Compressed Gases
GHS04
GHS Hazard Statements H280:Gases under pressure
Precautionary Statement Codes P410+P403:Protect from sunlight. Store in a well-ventilated place.

COMPUTED DESCRIPTORS

Molecular Weight 45.002 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 44.993184074 g/mol
Monoisotopic Mass 44.993184074 g/mol
Topological Polar Surface Area 34.1 Ų
Heavy Atom Count 3
Formal Charge 0
Complexity 18.3
Isotope Atom Count 1
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized No

PRODUCT INTRODUCTION

description

((13)C)carbon dioxide is a (13)C-modified compound that is carbon dioxide in which the carbon is present as its (13)C isotope. It has a role as a diagnostic agent. It is a (13)C-modified compound, a one-carbon compound, a carbon oxide and a gas molecular entity.