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Structure & Deep Data of Carbon monoxide (CO)

Identification of Carbon monoxide Chemical Compound

2D chemical structure image of carbon monoxide
Chemical Formula CO
Molecular Weight 28.0101 g/mol
IUPAC Name carbon monoxide
SMILES String [C-]#[O+]
InChI InChI=1S/CO/c1-2
InChIKey UGFAIRIUMAVXCW-UHFFFAOYSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The carbon monoxide molecule contains a total of 1 bond(s). There are 1 non-H bond(s), 1 multiple bond(s), and 1 triple bond(s). Images of the chemical structure of carbon monoxide are given below:

2D chemical structure image of carbon monoxide
2-dimensional (2D) chemical structure image of carbon monoxide
3D chemical structure image of carbon monoxide
3-dimensional (3D) chemical structure image of carbon monoxide

The 2D chemical structure image of carbon monoxide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of carbon monoxide are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of carbon monoxide is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of carbon monoxide. Download structure data file (SDF/MOL) file of this compound.


chemical table area

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Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of carbon monoxide is provided here.

The carbon monoxide molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the carbon monoxide molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of carbon monoxide can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.


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Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Deep Data Application Examples

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Additional Information for Identifying Carbon monoxide Molecule

  • SMILES (Simplified Molecular-Input Line-Entry System) string of carbon monoxide

    The SMILES string of carbon monoxide is [C-]#[O+], which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the carbon monoxide.

  • Structure Data File (SDF/MOL File) of carbon monoxide

    The structure data file (SDF/MOL File) of carbon monoxide is available for download in the SDF page of carbon monoxide, which provides the information about the atoms, bonds, connectivity and coordinates of carbon monoxide. The carbon monoxide structure data file can be imported to most of the cheminformatics software systems and applications.

  • Chemical formula of carbon monoxide

    The molecular formula of carbon monoxide is available in chemical formula page of carbon monoxide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • Molecular weight of carbon monoxide

    The molecular weight of carbon monoxide is available in molecular weight page of carbon monoxide, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

  • Other names (synonyms) or registry numbers of carbon monoxide

    The carbon monoxide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of carbon monoxide including the various registry numbers, if available:

    • 82063-46-5
    • 807306-74-7
    • 740776-49-2
    • 724693-69-0
    • 192819-80-0
    • 18421-60-8
    • 167416-30-0
    • 162342-48-5
    • 155399-52-3
    • 153929-54-5
    • Carbon monoxide, refrigerated liquid (cryogenic liquid) [NA9202] [Poison gas]
    • Carbon monoxide, refrigerated liquid (cryogenic liquid) [NA9202] [Poison gas]
    • Carbon monoxide, refrigerated liquid (cryogenic liquid)
    • Carbon monoxide, compressed [UN1016] [Poison gas]
    • Carbon monoxide, compressed [UN1016] [Poison gas]
    • D09706
    • 7U1EE4V452
    • Carbon monoxide, compressed
    • Carbon monoxide (USAN)
    • Carbonous oxide
    • C#O
    • monoxide
    • Carbon monoxide 10% by volume or more
    • [CO]
    • Carbonio (ossido di) [Italian]
    • Carbone (oxyde de) [French]
    • Oxyde de carbone [French]
    • Wegla tlenek [Polish]
    • Kohlenmonoxid [German]
    • carbonyl
    • Koolmonoxyde [Dutch]
    • Kohlenoxyd [German]
    • carbon(II) oxide
    • Flue gas
    • Exhaust gas
    • Carbon oxide (CO)
    • 630-08-0
    • Carbonic oxide
    • carbon monooxide

Carbon monoxide Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of carbon monoxide?
CO
How many atoms and what are the elements included the carbon monoxide molecule?
2 atom(s) - 1 Carbon atom(s) and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the carbon monoxide structure?
1 bond(s) - 1 non-H bond(s), 1 multiple bond(s), and 1 triple bond(s)
What’s the carbon monoxide’s molecular weight?
28.0101 g/mol
What’s the SMILES code of carbon monoxide?
[C-]#[O+]
What’s the InChI string of carbon monoxide?
InChI=1S/CO/c1-2
What’s the InChIKey code of carbon monoxide?
UGFAIRIUMAVXCW-UHFFFAOYSA-N

5618 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

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