Download Structure Data File(SDF/Mol File) of 3'-Methylacetanilide (C9H11NO)
Identification of 3'-Methylacetanilide Chemical Compound
|Molecular Weight||149.18974 g/mol|
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.
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.
Additional Information for Identifying 3'-Methylacetanilide Molecule
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.
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.
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:
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:
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:
- Acetamide, N-(3-methylphenyl)-
- m-Methyl acetanilide
- 3'-Methylacetanilide, 98%
- N-(3-Tolyl)acetic acid amide
- METHYL, [3-(ACETYLAMINO)PHENYL]-
- N-ACETYL-M-TOLUIDINE (SEE ALSO N-ACETYL-P-TOLUIDINE (103-89-9) & ACETYL-O-TOLUIDINE (120-66-1))
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