SDF/Mol File of Carbonic acid (CH2O3)
Identification of Carbonic acid Chemical Compound
Chemical Formula | CH2O3 |
---|---|
Molecular Weight | 62.02478 g/mol |
IUPAC Name | carbonic acid |
SMILES String | OC(O)=O |
InChI | InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4) |
InChIKey | BVKZGUZCCUSVTD-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of carbonic acid 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 carbonic acid 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 Carbonic acid Molecule
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Chemical structure of carbonic acid
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of carbonic acid is available in chemical structure page of carbonic acid, 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 carbonic acid
The molecular weight of carbonic acid is available in molecular weight page of carbonic acid, 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 carbonic acid
The chemical formula of carbonic acid is given in chemical formula page of carbonic acid, 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 carbonic acid
An alternative way of expressing structural information in text format is InChI. The full standard InChI of carbonic acid is:
InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)
It can provide a standard way to encode the molecular information of carbonic acid 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 carbonic acid is:
InChIKey=BVKZGUZCCUSVTD-UHFFFAOYSA-N
The InChIKey may allow easier web searches for carbonic acid, but it needs to be linked to the full InChI to get back to the original structure of the carbonic acid since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of carbonic acid
The carbonic acid compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of carbonic acid including the registry numbers are listed below, if available:
- BDBM50147627
- HMDB03538
- [CO(OH)2]
- Soda (VAN)(*sodium salt*)
- Tronalight light soda ash
- Sodium carbonate Na2CO3
- CO3
- Sodium carbonate hydrated
- Carbon dioxide solution
- hydroxy carboxylic acid
- hydroxycarboxylic acid
- Hydroxymethanoic acid
- dihydroxidooxidocarbon
- hydrogencarbonic acid
- hydrogen bicarbonate
- Bismuth subcarbonate (oxycarbonate)
- Salt of soda
- Trona soda ash
- Carbonic acid-
- Scotch soda
- Mild alkali
- hydroxyl ketone
- hydroxy-ketone
- hydroxy ketone
- Consal
- Calcined
- Koehlensaeure
- hydroxyketone
- 16508-95-5
- Sodium bicarbonate (Na(HCO3))
- Sodium carbonate (Na2(CO3))
- Sodium carbonates (Na2CO3)
- Sodium carbonate (NaHCO3)
- Sodium bicarbonate(1:1)
- Sodium carbonate anhydrous
- Carbonic acid sodium salt
- Na-X
- HYDROXYFORMATE
- Monosodium carbonate
- component of Pretts
- component of Col-Evac
- Soda
- Bisodium carbonate
- Crystol carbonate
- Carbonic Acid Anion
- H2CO3
- acid of air
- Aerial acid
- 463-79-6
- Dihydrogen carbonate
Carbonic acid Identification Summary Frequently Asked Questions (FAQs)
What’s the carbonic acid formula? |
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CH2O3 |
How many atoms and what elements are included in the carbonic acid molecule? |
6 atom(s) - 2 Hydrogen atom(s), 1 Carbon atom(s), and 3 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are in the carbonic acid structure? |
5 bond(s) - 3 non-H bond(s), 1 multiple bond(s), 1 double bond(s), 1 carbonate (-thio) derivative(s), and 2 hydroxyl group(s) |
What’s the carbonic acid’s molar mass? |
62.02478 g/mol |
What’s the SMILES structure of carbonic acid? |
OC(O)=O |
What’s the InChI code of carbonic acid? |
InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4) |
What’s the InChIKey format of carbonic acid? |
BVKZGUZCCUSVTD-UHFFFAOYSA-N |
744
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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).