Molecular Weight 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 |
Molecular Weight Description
The Vinyl 2-furoate molecule consists of 6 Hydrogen atom(s), 7 Carbon atom(s), and 3 Oxygen atom(s) - a total of 16 atom(s). The molecular weight of Vinyl 2-furoate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 138.12074 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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- 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 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, which provides the information on atoms, bonds, connectivity and coordinates of Vinyl 2-furoate. The Vinyl 2-furoate structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of Vinyl 2-furoate
The molecular structure image of Vinyl 2-furoate is available in chemical structure page of Vinyl 2-furoate, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Vinyl 2-furoate and the chemical bonds that hold the atoms together.
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Chemical formula of Vinyl 2-furoate
The molecular formula of Vinyl 2-furoate is given in chemical formula page of Vinyl 2-furoate, 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 Vinyl 2-furoate
In addition to the molecular weight information, the structural information of Vinyl 2-furoate in a textual expression is available via InChi. The full standard InChI of Vinyl 2-furoate is given below:
InChI=1S/C7H6O3/c1-2-9-7(8)6-4-3-5-10-6/h2-5H,1H2
It can provide a 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
It may allow easier web searches for Vinyl 2-furoate. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Vinyl 2-furoate as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Vinyl 2-furoate
There may be different names of the Vinyl 2-furoate compound depending on the various situations of industrial applications, which are given below including the registry numbers 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 formula of Vinyl 2-furoate? |
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C7H6O3 |
How many atoms and what are the elements in the Vinyl 2-furoate molecule? |
16 atom(s) - 6 Hydrogen atom(s), 7 Carbon atom(s), and 3 Oxygen atom(s) |
How many chemical bonds and what types of bonds are 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 molar mass of Vinyl 2-furoate? |
138.12074 g/mol |
What’s the SMILES format of Vinyl 2-furoate? |
C=COC(=O)c1ccco1 |
What’s the InChI format 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 string 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).