Download Structure Data File(SDF/Mol File) of 2-Nonenoic acid (C9H16O2)

Identification of 2-Nonenoic acid Chemical Compound

2D chemical structure image of 2-Nonenoic acid
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

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 2-Nonenoic acid is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of 2-Nonenoic acid molecule. It starts with a header block, followed by "connection table“, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

Ball-and-stick model of 2-Nonenoic acid
Ball-and-stick model of 2-Nonenoic acid

Additional Information for Identifying 2-Nonenoic acid Molecule

  • Chemical structure of 2-Nonenoic acid

    By visualizing the structure data file (SDF/MOL File) above, 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 and the chemical bonds that hold the atoms together.

  • 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 masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of 2-Nonenoic acid

    The chemical formula of 2-Nonenoic acid is given 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.

  • InChI (IUPAC International Chemical Identifier) information of 2-Nonenoic acid

    An alternative way of expressing structural information in text format 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.

  • Other names (synonyms) or registry numbers of 2-Nonenoic acid

    The 2-Nonenoic acid compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 2-Nonenoic acid including the registry numbers are listed below, if available:

    • 2-Nonenoic acid
    • (E)-Non-2-enoic acid
    • Nonylenic acid
    • trans-2-Nonenoic acid
    • (E)-2-nonenoic acid
    • 2-Nonenylic acid
    • 2E-nonenoic acid
    • 3760-11-0
    • 14812-03-4
    • (2E)-non-2-enoic acid
    • C9:1n-7
    • .alpha.-Nonenoic acid
    • alpha-Nonenoic acid
    • Non-2-enoic acid, (E)-
    • Nonenoic acid
    • 3E-nonenoic acid
    • 2-NONENOICACID
    • (2E)-2-Nonenoic acid
    • 29830-11-3
    • LMFA01030443
    • MFCD00014020
    • 93232CN67V
    • N0426
    • C-51657
    • I14-58565
    • 3B1-001471
    • (E)-non-2-enoic acid
    • 29830-11-3
    • 14812-03-4
    • Nonenoic acid
    • trans-2-Nonenoic acid
    • 2E-nonenoic acid
    • LMFA01030443
    • alpha-Nonenoic acid
    • AR-1E4442

2-Nonenoic acid Identification Summary Frequently Asked Questions (FAQs)

  • What’s the 2-Nonenoic acid formula?

    C9H16O2
  • How many atoms and what elements are included in 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 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 2-Nonenoic acid’s molar mass?

    156.22214 g/mol
  • What’s the SMILES structure of 2-Nonenoic acid?

    CCCCCCC=CC(O)=O
  • What’s the InChI code 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 format of 2-Nonenoic acid?

    ADLXTJMPCFOTOO-BQYQJAHWSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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