Download Structure Data File(SDF/Mol File) of 2,4-DIMETHYLFURAN (C6H8O)
Identification of 2,4-DIMETHYLFURAN Chemical Compound
|Molecular Weight||96.12712 g/mol|
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 2,4-DIMETHYLFURAN 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 2,4-DIMETHYLFURAN 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 2,4-DIMETHYLFURAN Molecule
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 2,4-DIMETHYLFURAN is available in chemical structure page of 2,4-DIMETHYLFURAN, 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 2,4-DIMETHYLFURAN is available in molecular weight page of 2,4-DIMETHYLFURAN, 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 2,4-DIMETHYLFURAN is given in chemical formula page of 2,4-DIMETHYLFURAN, 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 2,4-DIMETHYLFURAN
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 2,4-DIMETHYLFURAN is:
It can provide a standard way to encode the molecular information of 2,4-DIMETHYLFURAN 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 2,4-DIMETHYLFURAN is:
The InChIKey may allow easier web searches for 2,4-DIMETHYLFURAN, but it needs to be linked to the full InChI to get back to the original structure of the 2,4-DIMETHYLFURAN since the full standard InChI cannot be reconstructed from the InChIKey.
Other names (synonyms) or registry numbers of 2,4-DIMETHYLFURAN
The 2,4-DIMETHYLFURAN compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 2,4-DIMETHYLFURAN including the registry numbers are listed below, if available:
- Furan, 2,4-dimethyl-
- 2,4-dimethyl furan
- 2,4-Dimethylfuran #
2,4-DIMETHYLFURAN Identification Summary Frequently Asked Questions (FAQs)
What’s the 2,4-DIMETHYLFURAN formula?C6H8O
How many atoms and what elements are included in the 2,4-DIMETHYLFURAN molecule?15 atom(s) – 8 Hydrogen atom(s), 6 Carbon atom(s) and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the 2,4-DIMETHYLFURAN structure?15 bond(s) – 7 non-H bond(s), 5 multiple bond(s), 5 aromatic bond(s), 1 five-membered ring(s) and 1 Furane(s)
What’s the 2,4-DIMETHYLFURAN’s molar mass?96.12712 g/mol
What’s the SMILES structure of 2,4-DIMETHYLFURAN?Cc1coc(C)c1
What’s the InChI code of 2,4-DIMETHYLFURAN?InChI=1S/C6H8O/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
What’s the InChIKey format of 2,4-DIMETHYLFURAN?AABTWRKUKUPMJG-UHFFFAOYSA-N