Structure & Deep Data 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 Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 2-Nonenoic acid molecule contains a total of 26 bond(s). There are 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). Images of the chemical structure of 2-Nonenoic acid are given below:
The 2D chemical structure image of 2-Nonenoic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 2-Nonenoic acid are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of 2-Nonenoic acid is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 2-Nonenoic acid. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of 2-Nonenoic acid is provided here.
The 2-Nonenoic acid molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the 2-Nonenoic acid molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of 2-Nonenoic acid can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
Search Another Chemical Structure
Enter another compound to search for chemical structure:
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
Deep Data Application Examples
Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:
- Thermophysical Property Datafile (IK-Cape File) for Process Simulators, e.g., Aspen Plus
- Free Radicals Thermodynamic Data for Oxidation, Combustion, and Thermal Cracking Kinetics
- Quantum Tools for IR Spectra Interpretation
- Instant Access to Molecular Orbitals
- Faster Quantum Calculations with Pre-Computed Results
- Chemical Big Data for Artificial Intelligence (AI) Developments
- Quantum Descriptors for QSAR·QSPR Modeling
- Deep Data Application Overview
Additional Information for Identifying 2-Nonenoic acid Molecule
-
SMILES (Simplified Molecular-Input Line-Entry System) string of 2-Nonenoic acid
The SMILES string of 2-Nonenoic acid is CCCCCCC=CC(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 2-Nonenoic acid.
-
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, which provides the information about the atoms, bonds, connectivity and coordinates of 2-Nonenoic acid. The 2-Nonenoic acid structure data file can be imported to most of the cheminformatics software systems and applications.
-
Chemical formula of 2-Nonenoic acid
The molecular formula of 2-Nonenoic acid is available in chemical formula page of 2-Nonenoic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
-
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 in the molecular formula.
-
Other names (synonyms) or registry numbers of 2-Nonenoic acid
The 2-Nonenoic acid compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 2-Nonenoic acid including the various registry numbers, 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 the elements included the 2-Nonenoic acid molecule? |
| 27 atom(s) - 16 Hydrogen atom(s), 9 Carbon atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included 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 2-Nonenoic acid’s molecular weight? |
| 156.22214 g/mol |
| What’s the SMILES code of 2-Nonenoic acid? |
| CCCCCCC=CC(O)=O |
| What’s the InChI string 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 code of 2-Nonenoic acid? |
| ADLXTJMPCFOTOO-BQYQJAHWSA-N |
91
The contents of this page can freely be shared if cited as follows:
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).