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SDF/Mol File of 3-Acetyl-9-methylcarbazole (C15H13NO)

Identification of 3-Acetyl-9-methylcarbazole Chemical Compound

2D chemical structure image of 3-Acetyl-9-methylcarbazole
Chemical Formula C15H13NO
Molecular Weight 223.26982 g/mol
IUPAC Name 1-(9-methyl-9H-carbazol-3-yl)ethan-1-one
SMILES String CC(=O)c3ccc2n(C)c1ccccc1c2c3
InChI InChI=1S/C15H13NO/c1-10(17)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16(15)2/h3-9H,1-2H3
InChIKey RMOVJQZTZDJESW-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 3-Acetyl-9-methylcarbazole 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 3-Acetyl-9-methylcarbazole 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.

3D chemical structure image of 3-Acetyl-9-methylcarbazole
Ball-and-stick model of 3-Acetyl-9-methylcarbazole

chemical table area

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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying 3-Acetyl-9-methylcarbazole Molecule

  • Chemical structure of 3-Acetyl-9-methylcarbazole

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 3-Acetyl-9-methylcarbazole is available in chemical structure page of 3-Acetyl-9-methylcarbazole, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of 3-Acetyl-9-methylcarbazole

    The molecular weight of 3-Acetyl-9-methylcarbazole is available in molecular weight page of 3-Acetyl-9-methylcarbazole, 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 3-Acetyl-9-methylcarbazole

    The chemical formula of 3-Acetyl-9-methylcarbazole is given in chemical formula page of 3-Acetyl-9-methylcarbazole, 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 3-Acetyl-9-methylcarbazole

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of 3-Acetyl-9-methylcarbazole is:

    InChI=1S/C15H13NO/c1-10(17)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16(15)2/h3-9H,1-2H3

    It can provide a standard way to encode the molecular information of 3-Acetyl-9-methylcarbazole 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-Acetyl-9-methylcarbazole is:

    InChIKey=RMOVJQZTZDJESW-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for 3-Acetyl-9-methylcarbazole, but it needs to be linked to the full InChI to get back to the original structure of the 3-Acetyl-9-methylcarbazole since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 3-Acetyl-9-methylcarbazole

    The 3-Acetyl-9-methylcarbazole compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 3-Acetyl-9-methylcarbazole including the registry numbers are listed below, if available:

    • AR-1F1624
    • EC-000.1503
    • ethanone, 1-(9-methyl-9H-carbazol-3-yl)-
    • Ethanone,1-(9-methyl-9H-carbazol-3-yl)-
    • 1-(9-Methyl-9H-carbazol-3-yl)ethanone #
    • 1-(9-methyl-9 h-carbazol-3-yl)-ethanone
    • BIM-0003522.P001
    • SMSF0003185
    • 1-(9-methylcarbazol-3-yl)ethanone
    • 3-Acetyl-9-methyl-9H-carbazole
    • Cambridge id 5100177
    • Ambcb5100177
    • 1-(9-Methyl-9H-carbazol-3-yl)-ethanone
    • 1-(9-Methyl-9H-carbazol-3-yl)ethanone
    • 3-Acetyl-9-methylcarbazole
    • 1484-05-5

3-Acetyl-9-methylcarbazole Identification Summary Frequently Asked Questions (FAQs)

What’s the 3-Acetyl-9-methylcarbazole formula?
C15H13NO
How many atoms and what elements are included in the 3-Acetyl-9-methylcarbazole molecule?
30 atom(s) - 13 Hydrogen atom(s), 15 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the 3-Acetyl-9-methylcarbazole structure?
32 bond(s) - 19 non-H bond(s), 16 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 15 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 2 nine-membered ring(s), 1 ketone(s) (aromatic), and 1 Pyrrole(s)
What’s the 3-Acetyl-9-methylcarbazole’s molar mass?
223.26982 g/mol
What’s the SMILES structure of 3-Acetyl-9-methylcarbazole?
CC(=O)c3ccc2n(C)c1ccccc1c2c3
What’s the InChI code of 3-Acetyl-9-methylcarbazole?
InChI=1S/C15H13NO/c1-10(17)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16(15)2/h3-9H,1-2H3
What’s the InChIKey format of 3-Acetyl-9-methylcarbazole?
RMOVJQZTZDJESW-UHFFFAOYSA-N

16 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).

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