Formula of 2-Nonenoic acid (C9H16O2)
Identification of 2-Nonenoic acid Chemical Compound
| Chemical Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.22214 g/mol |
| IUPAC Name | (2E)-non-2-enoic acid |
| SMILES String | CCCCCCC=CC(O)=O |
| InChI | InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/b8-7+ |
| InChIKey | ADLXTJMPCFOTOO-BQYQJAHWSA-N |
Chemical Formula Description
The 2-Nonenoic acid molecule contains a total of 27 atom(s). There are 16 Hydrogen atom(s), 9 Carbon atom(s), and 2 Oxygen atom(s). A chemical formula of 2-Nonenoic acid can therefore be written as:
C9H16O2
The chemical formula of 2-Nonenoic acid 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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Additional Information for Identifying 2-Nonenoic acid Molecule
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Structure Data File (SDF/MOL File) of 2-Nonenoic acid
The structure data file (SDF/MOL File) of 2-Nonenoic acid is available for download in the SDF page of 2-Nonenoic acid providing the information about the atoms, bonds, connectivity and coordinates of 2-Nonenoic acid, which is not completely available in the chemical formula representation. The 2-Nonenoic acid structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of 2-Nonenoic acid
The chemical structure image of 2-Nonenoic acid is available in chemical structure page of 2-Nonenoic acid, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of 2-Nonenoic acid and the chemical bonds that hold the atoms together.
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Molecular weight of 2-Nonenoic acid
The molecular weight of 2-Nonenoic acid is available in molecular weight page of 2-Nonenoic acid, 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 2-Nonenoic acid.
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InChI (IUPAC International Chemical Identifier) information of 2-Nonenoic acid
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of 2-Nonenoic acid is:
InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/b8-7+
It can provide a standard way to encode the molecular information of 2-Nonenoic 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 2-Nonenoic acid is:
InChIKey=ADLXTJMPCFOTOO-BQYQJAHWSA-N
The InChIKey may allow easier web searches for 2-Nonenoic acid, but it needs to be linked to the full InChI to get back to the original structure of the 2-Nonenoic acid since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 2-Nonenoic acid
The 2-Nonenoic acid compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 2-Nonenoic acid including the registry numbers is given below, if available:
- alpha-Nonenoic acid
- LMFA01030443
- 2E-nonenoic acid
- trans-2-Nonenoic acid
- Nonenoic acid
- 14812-03-4
- 29830-11-3
- (E)-non-2-enoic acid
2-Nonenoic acid Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of 2-Nonenoic acid? |
|---|
| C9H16O2 |
| How many atoms and what are they in the 2-Nonenoic acid structure? |
| 27 atom(s) - 16 Hydrogen atom(s), 9 Carbon atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what are they in the 2-Nonenoic acid structure? |
| 26 bond(s) - 10 non-H bond(s), 2 multiple bond(s), 6 rotatable bond(s), 2 double bond(s), 1 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s) |
| What’s the molecular weight of 2-Nonenoic acid? |
| 156.22214 g/mol |
| What’s the SMILES string of 2-Nonenoic acid? |
| CCCCCCC=CC(O)=O |
| What’s the InChI of 2-Nonenoic acid? |
| InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/b8-7+ |
| What’s the InChIKey of 2-Nonenoic acid? |
| ADLXTJMPCFOTOO-BQYQJAHWSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).