Molecular Weight of 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID (C11H10F2O3)
Identification of 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID Chemical Compound
| Chemical Formula | C11H10F2O3 |
|---|---|
| Molecular Weight | 228.192106 g/mol |
| IUPAC Name | (2E)-3-(3-ethoxy-2,4-difluorophenyl)prop-2-enoic acid |
| SMILES String | CCOc1c(F)ccc(C=CC(O)=O)c1F |
| InChI | InChI=1S/C11H10F2O3/c1-2-16-11-8(12)5-3-7(10(11)13)4-6-9(14)15/h3-6H,2H2,1H3,(H,14,15)/b6-4+ |
| InChIKey | KEKXZPKFJIPTDE-GQCTYLIASA-N |
Molecular Weight Description
The 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID molecule consists of 10 Hydrogen atom(s), 11 Carbon atom(s), 3 Oxygen atom(s), and 2 Fluorine atom(s) - a total of 26 atom(s). The molecular weight of 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 228.192106 · \frac{g}{mol} $$
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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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID Molecule
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Structure Data File (SDF/MOL File) of 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID
The structure data file (SDF/MOL File) of 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID is available for download in the SDF page of 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID, which provides the information on atoms, bonds, connectivity and coordinates of 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID. The 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID 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 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID
The molecular structure image of 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID is available in chemical structure page of 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID and the chemical bonds that hold the atoms together.
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Chemical formula of 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID
The molecular formula of 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID is given in chemical formula page of 3-ETHOXY-2,4-DIFLUOROCINNAMIC 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 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID
In addition to the molecular weight information, the structural information of 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID in a textual expression is available via InChi. The full standard InChI of 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID is given below:
InChI=1S/C11H10F2O3/c1-2-16-11-8(12)5-3-7(10(11)13)4-6-9(14)15/h3-6H,2H2,1H3,(H,14,15)/b6-4+
It can provide a way to encode the molecular information of 3-ETHOXY-2,4-DIFLUOROCINNAMIC 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 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID is:
InChIKey=KEKXZPKFJIPTDE-GQCTYLIASA-N
It may allow easier web searches for 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID
There may be different names of the 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- 3-(3-Ethoxy-2,4-difluorophenyl)acrylic acid
- 3-Ethoxy-2,4-difluorocinnamic acid, JRD
- MFCD09258735
- 1017778-44-7
- 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID
3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID? |
|---|
| C11H10F2O3 |
| How many atoms and what are the elements in the 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID molecule? |
| 26 atom(s) - 10 Hydrogen atom(s), 11 Carbon atom(s), 3 Oxygen atom(s), and 2 Fluorine atom(s) |
| How many chemical bonds and what types of bonds are in the 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID structure? |
| 26 bond(s) - 16 non-H bond(s), 8 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 hydroxyl group(s), and 1 ether(s) (aromatic) |
| What’s the molar mass of 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID? |
| 228.192106 g/mol |
| What’s the SMILES format of 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID? |
| CCOc1c(F)ccc(C=CC(O)=O)c1F |
| What’s the InChI format of 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID? |
| InChI=1S/C11H10F2O3/c1-2-16-11-8(12)5-3-7(10(11)13)4-6-9(14)15/h3-6H,2H2,1H3,(H,14,15)/b6-4+ |
| What’s the InChIKey string of 3-ETHOXY-2,4-DIFLUOROCINNAMIC ACID? |
| KEKXZPKFJIPTDE-GQCTYLIASA-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).