SDF/Mol File of Carbon monoxide (CO)
Identification of Carbon monoxide Chemical Compound
| 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 |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of carbon monoxide is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of carbon monoxide molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
chemical table area
Search Another SDF·MOL File
Enter another compound to search for SDF·MOL file:
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
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Additional Information for Identifying Carbon monoxide Molecule
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Chemical structure of carbon monoxide
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of carbon monoxide is available in chemical structure page of carbon monoxide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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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 masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of carbon monoxide
The chemical formula of carbon monoxide is given 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.
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InChI (IUPAC International Chemical Identifier) information of carbon monoxide
An alternative way of expressing structural information in text format is InChI. The full standard InChI of carbon monoxide is:
InChI=1S/CO/c1-2
It can provide a standard way to encode the molecular information of carbon monoxide to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of carbon monoxide is:
InChIKey=UGFAIRIUMAVXCW-UHFFFAOYSA-N
The InChIKey may allow easier web searches for carbon monoxide, but it needs to be linked to the full InChI to get back to the original structure of the carbon monoxide since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of carbon monoxide
The carbon monoxide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of carbon monoxide including the registry numbers are listed below, 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 carbon monoxide formula? |
|---|
| CO |
| How many atoms and what elements are included in 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 in 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 molar mass? |
| 28.0101 g/mol |
| What’s the SMILES structure of carbon monoxide? |
| [C-]#[O+] |
| What’s the InChI code of carbon monoxide? |
| InChI=1S/CO/c1-2 |
| What’s the InChIKey format of carbon monoxide? |
| UGFAIRIUMAVXCW-UHFFFAOYSA-N |
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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).