Structure & Deep Data of Carbon dioxide (CO2)
Identification of Carbon dioxide Chemical Compound
| Chemical Formula | CO2 |
|---|---|
| Molecular Weight | 44.0095 g/mol |
| IUPAC Name | carbon dioxide |
| SMILES String | O=C=O |
| InChI | InChI=1S/CO2/c2-1-3 |
| InChIKey | CURLTUGMZLYLDI-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 dioxide molecule contains a total of 2 bond(s). There are 2 non-H bond(s), 2 multiple bond(s), and 2 double bond(s). Images of the chemical structure of carbon dioxide are given below:
The 2D chemical structure image of carbon dioxide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of carbon dioxide 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 dioxide 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 dioxide. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of carbon dioxide is provided here.
The carbon dioxide 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 dioxide 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 dioxide 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.
Search Another Chemical Structure
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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Carbon dioxide Molecule
-
SMILES (Simplified Molecular-Input Line-Entry System) string of carbon dioxide
The SMILES string of carbon dioxide is O=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 dioxide.
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Structure Data File (SDF/MOL File) of carbon dioxide
The structure data file (SDF/MOL File) of carbon dioxide is available for download in the SDF page of carbon dioxide, which provides the information about the atoms, bonds, connectivity and coordinates of carbon dioxide. The carbon dioxide structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of carbon dioxide
The molecular formula of carbon dioxide is available in chemical formula page of carbon dioxide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of carbon dioxide
The molecular weight of carbon dioxide is available in molecular weight page of carbon dioxide, 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.
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Other names (synonyms) or registry numbers of carbon dioxide
The carbon dioxide 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 dioxide including the various registry numbers, if available:
- AR-1I2417
- AR-1A0518
- KST-1A5406
- (14c)methanedione
- 957761-35-2
- 18923-20-1
- Carbon dioxide, refrigerated liquid [UN2187] [Nonflammable gas]
- Carbon dioxide, refrigerated liquid [UN2187] [Nonflammable gas]
- Carbon dioxide (99.8%), cylinder of 48 L, analytical standard
- Carbon dioxide (99.8%), cylinder of 14 L, analytical standard
- Carbon dioxide, solid or dry ice [UN1845] [Class 9]
- Carbon dioxide, solid or dry ice [UN1845] [Class 9]
- D00004
- Carbon dioxide, Messer(R) CANgas, 99.995%
- Carbon dioxide [UN1013] [Nonflammable gas]
- Carbon dioxide [UN1013] [Nonflammable gas]
- E-290
- E 290
- Carbon dioxide, puriss., >=99.998%
- UN 2187
- UN 1845
- UN 1013
- 142M471B3J
- [CO2]
- Carbon dioxide, solid or dry ice
- HMDB01967
- BDBM10856
- Carbon dioxide, >=99.8%
- Carbon dioxide (JP17/USP)
- Carbon dioxide (99.8%)
- Lung Diffusion Test Mixture
- Carbon Dioxide Refrigerated
- Carbon Dioxide 100%
- Dry ice (solid phase)
- Carbon Dioxide 99%
- Carbon dioxide (TN)
- Carbon dioxide solid
- Carbon-12 dioxide
- Carbon Dioxide USP
- Makr carbon dioxide
- Carbonic acid, gas
- Carbon dioxide, refrigerated liquid
- Carbon(IV) oxide
- methane, dioxo-
- Dioxomethane #
- dry-ice
- Drikold
- Dricold
- Cardice
- dioxidocarbon
- Carbon dioxide, ion(1-)
- COO-
- Carbon Dioxide [USAN]
- Dioxyde de carbone
- Dioxido de carbono
- Carbon dioxide ion
- E290
- methanedione
- Dioxomethane
- EPA Pesticide Chemical Code 016601
- R 744
- Carbon oxide (CO2)
- Anhydride carbonique [French]
- Dioxido de carbono [Spanish]
- Dioxyde de carbone [French]
- Kohlendioxyd [German]
- Caswell No. 163
- Kohlensaure [German]
- CO2
- Anhydride carbonique
- AER Fixus
- After-damp
- Khladon 744
- Kohlensaure
- Kohlendioxyd
- Carbon oxide, di-
- Carbonica
- Carbonic acid anhydride
- 124-38-9
- carbonic acid gas
- Dry ice
- carbonic anhydride
Carbon dioxide Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of carbon dioxide? |
|---|
| CO2 |
| How many atoms and what are the elements included the carbon dioxide molecule? |
| 3 atom(s) - 1 Carbon atom(s) and 2 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the carbon dioxide structure? |
| 2 bond(s) - 2 non-H bond(s), 2 multiple bond(s), and 2 double bond(s) |
| What’s the carbon dioxide’s molecular weight? |
| 44.0095 g/mol |
| What’s the SMILES code of carbon dioxide? |
| O=C=O |
| What’s the InChI string of carbon dioxide? |
| InChI=1S/CO2/c2-1-3 |
| What’s the InChIKey code of carbon dioxide? |
| CURLTUGMZLYLDI-UHFFFAOYSA-N |
10000
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).