Download Structure Data File(SDF/Mol File) of 3'-Methylacetanilide (C9H11NO)

Identification of 3'-Methylacetanilide Chemical Compound

2D chemical structure image of 3'-Methylacetanilide
Chemical Formula C9H11NO
Molecular Weight 149.18974 g/mol
IUPAC Name N-(3-methylphenyl)acetamide
SMILES String CC(=O)Nc1cccc(C)c1
InChI InChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
InChIKey ALMHSXDYCFOZQD-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 3'-Methylacetanilide 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'-Methylacetanilide 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 3'-Methylacetanilide
Ball-and-stick model of 3'-Methylacetanilide

Additional Information for Identifying 3'-Methylacetanilide Molecule

  • Chemical structure of 3'-Methylacetanilide

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 3'-Methylacetanilide is available in chemical structure page of 3'-Methylacetanilide, 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'-Methylacetanilide

    The molecular weight of 3'-Methylacetanilide is available in molecular weight page of 3'-Methylacetanilide, 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'-Methylacetanilide

    The chemical formula of 3'-Methylacetanilide is given in chemical formula page of 3'-Methylacetanilide, 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'-Methylacetanilide

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of 3'-Methylacetanilide is:

    InChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)

    It can provide a standard way to encode the molecular information of 3'-Methylacetanilide 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'-Methylacetanilide is:

    InChIKey=ALMHSXDYCFOZQD-UHFFFAOYSA-N

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

  • Other names (synonyms) or registry numbers of 3'-Methylacetanilide

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

    • 3'-Methylacetanilide
    • N-Acetyl-m-toluidine
    • m-Acetotoluidide
    • 3-Methylacetanilide
    • 537-92-8
    • N-(3-METHYLPHENYL)ACETAMIDE
    • 3-Acetamidotoluene
    • m-Acetotoluide
    • N-m-Tolylacetamide
    • m-Methylacetanilide
    • Aceto-m-aminotoluene
    • m-Tolylacetamide
    • Acetotoluide
    • Acetamide, N-(3-methylphenyl)-
    • m-Acetotolidide
    • N-Acetyl-3-methylaniline
    • m-Acetotoluidine
    • 1-Acetamido-3-methylbenzene
    • m-Methyl acetanilide
    • N-Acetyl-n-toluidine
    • N-(m-tolyl)acetamide
    • N1-(3-methylphenyl)acetamide
    • N-Acetoxy-3-toluidine
    • ACETYL-M-TOLUIDINE
    • 3-ACETYLAMINOTOLUENE
    • (3-METHYLPHENYL)-ACETAMIDE
    • meta-Acetotoluidide
    • 3'-Methylacetanilide, 98%
    • N-(3-Tolyl)acetic acid amide
    • Acetamide,N-(3-methylphenyl)-
    • HMS3039L06
    • KY86R0888B
    • ANW-31852
    • MFCD00014962
    • CAS-537-92-8
    • L546
    • METHYL, [3-(ACETYLAMINO)PHENYL]-
    • A0062
    • AZ0001-0028
    • W-105708
    • N-ACETYL-M-TOLUIDINE (SEE ALSO N-ACETYL-P-TOLUIDINE (103-89-9) & ACETYL-O-TOLUIDINE (120-66-1))
    • BBV-34549976
    • C-52364

3'-Methylacetanilide Identification Summary Frequently Asked Questions (FAQs)

  • What’s the 3'-Methylacetanilide formula?

    C9H11NO
  • How many atoms and what elements are included in the 3'-Methylacetanilide molecule?

    22 atom(s) – 11 Hydrogen atom(s), 9 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'-Methylacetanilide structure?

    22 bond(s) – 11 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s) and 1 secondary amide(s) (aliphatic)
  • What’s the 3'-Methylacetanilide’s molar mass?

    149.18974 g/mol
  • What’s the SMILES structure of 3'-Methylacetanilide?

    CC(=O)Nc1cccc(C)c1
  • What’s the InChI code of 3'-Methylacetanilide?

    InChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
  • What’s the InChIKey format of 3'-Methylacetanilide?

    ALMHSXDYCFOZQD-UHFFFAOYSA-N

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