Formula of Vinyl 2-furoate (C7H6O3)
Identification of Vinyl 2-furoate Chemical Compound
| Chemical Formula | C7H6O3 |
|---|---|
| Molecular Weight | 138.12074 g/mol |
| IUPAC Name | ethenyl furan-2-carboxylate |
| SMILES String | C=COC(=O)c1ccco1 |
| InChI | InChI=1S/C7H6O3/c1-2-9-7(8)6-4-3-5-10-6/h2-5H,1H2 |
| InChIKey | UDJQBKJWCBEDAU-UHFFFAOYSA-N |
Chemical Formula Description
The Vinyl 2-furoate molecule contains a total of 16 atom(s). There are 6 Hydrogen atom(s), 7 Carbon atom(s), and 3 Oxygen atom(s). A chemical formula of Vinyl 2-furoate can therefore be written as:
C7H6O3
The chemical formula of Vinyl 2-furoate shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- CAS #: 64-17-5
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Vinyl 2-furoate Molecule
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Structure Data File (SDF/MOL File) of Vinyl 2-furoate
The structure data file (SDF/MOL File) of Vinyl 2-furoate is available for download in the SDF page of Vinyl 2-furoate providing the information about the atoms, bonds, connectivity and coordinates of Vinyl 2-furoate, which is not completely available in the chemical formula representation. The Vinyl 2-furoate structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Vinyl 2-furoate
The chemical structure image of Vinyl 2-furoate is available in chemical structure page of Vinyl 2-furoate, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Vinyl 2-furoate and the chemical bonds that hold the atoms together.
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Molecular weight of Vinyl 2-furoate
The molecular weight of Vinyl 2-furoate is available in molecular weight page of Vinyl 2-furoate, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of Vinyl 2-furoate.
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InChI (IUPAC International Chemical Identifier) information of Vinyl 2-furoate
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Vinyl 2-furoate is:
InChI=1S/C7H6O3/c1-2-9-7(8)6-4-3-5-10-6/h2-5H,1H2
It can provide a standard way to encode the molecular information of Vinyl 2-furoate 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 Vinyl 2-furoate is:
InChIKey=UDJQBKJWCBEDAU-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Vinyl 2-furoate, but it needs to be linked to the full InChI to get back to the original structure of the Vinyl 2-furoate since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Vinyl 2-furoate
The Vinyl 2-furoate compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Vinyl 2-furoate including the registry numbers is given below, if available:
- C-55114
- 2-Furancarboxylic acid, ethenyl ester
- MFCD00080696
- 2-Furancarboxylic acid vinyl ester
- VINYL-2-FUROATE
- 2-Furancarboxylic acid,ethenyl ester
- 1917-10-8
- Vinyl 2-furoate
Vinyl 2-furoate Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Vinyl 2-furoate? |
|---|
| C7H6O3 |
| How many atoms and what are they in the Vinyl 2-furoate structure? |
| 16 atom(s) - 6 Hydrogen atom(s), 7 Carbon atom(s), and 3 Oxygen atom(s) |
| How many chemical bonds and what are they in the Vinyl 2-furoate structure? |
| 16 bond(s) - 10 non-H bond(s), 7 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 1 ester(s) (aromatic), and 1 Furane(s) |
| What’s the molecular weight of Vinyl 2-furoate? |
| 138.12074 g/mol |
| What’s the SMILES string of Vinyl 2-furoate? |
| C=COC(=O)c1ccco1 |
| What’s the InChI of Vinyl 2-furoate? |
| InChI=1S/C7H6O3/c1-2-9-7(8)6-4-3-5-10-6/h2-5H,1H2 |
| What’s the InChIKey of Vinyl 2-furoate? |
| UDJQBKJWCBEDAU-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).