Structure & Deep Data of 2,5-Furandicarboxylic acid (C6H4O5)
Identification of 2,5-Furandicarboxylic acid Chemical Compound
Chemical Formula | C6H4O5 |
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Molecular Weight | 156.09296 g/mol |
IUPAC Name | furan-2,5-dicarboxylic acid |
SMILES String | OC(=O)c1ccc(o1)C(O)=O |
InChI | InChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10) |
InChIKey | CHTHALBTIRVDBM-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 2,5-Furandicarboxylic acid molecule contains a total of 15 bond(s). There are 11 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 2 carboxylic acid(s) (aromatic), 2 hydroxyl group(s), and 1 Furane(s). Images of the chemical structure of 2,5-Furandicarboxylic acid are given below:
The 2D chemical structure image of 2,5-Furandicarboxylic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 2,5-Furandicarboxylic acid are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of 2,5-Furandicarboxylic acid is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 2,5-Furandicarboxylic acid. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of 2,5-Furandicarboxylic acid is provided here.
The 2,5-Furandicarboxylic acid molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the 2,5-Furandicarboxylic acid molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of 2,5-Furandicarboxylic acid can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying 2,5-Furandicarboxylic acid Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 2,5-Furandicarboxylic acid
The SMILES string of 2,5-Furandicarboxylic acid is OC(=O)c1ccc(o1)C(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 2,5-Furandicarboxylic acid.
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Structure Data File (SDF/MOL File) of 2,5-Furandicarboxylic acid
The structure data file (SDF/MOL File) of 2,5-Furandicarboxylic acid is available for download in the SDF page of 2,5-Furandicarboxylic acid, which provides the information about the atoms, bonds, connectivity and coordinates of 2,5-Furandicarboxylic acid. The 2,5-Furandicarboxylic acid structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 2,5-Furandicarboxylic acid
The molecular formula of 2,5-Furandicarboxylic acid is available in chemical formula page of 2,5-Furandicarboxylic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of 2,5-Furandicarboxylic acid
The molecular weight of 2,5-Furandicarboxylic acid is available in molecular weight page of 2,5-Furandicarboxylic acid, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of 2,5-Furandicarboxylic acid
The 2,5-Furandicarboxylic acid compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 2,5-Furandicarboxylic acid including the various registry numbers, if available:
- C-03492
- EN300-110895
- BBV-39694271
- AR-1J0994
- ZX-AN011630
- S04-0116
- Q-102496
- AR-360/40225989
- Dehydromucic acid, Furan-2,5-dicarboxylic acid
- A-1793
- EC-000.1599
- V1447
- F0710
- A5809
- 4CH-013413
- RTC-030300
- CS-W002105
- WTI-10927
- MFCD00016582
- GEO-01437
- ANW-27340
- ALBB-012840
- 2,5-Furandicarboxylic acid, 97%
- HMDB04812
- Furane-a,a'-dicarboxylic acid
- Furane-2,5-dicarboxylic acid
- Furan 2,5-dicarboxylic acid
- Furan-2,5-Dicarboxylicacid
- Furane-a,a'-dicarboxylate
- Furan 2,5-dicarboxylate
- Dehydroschleimsaeure
- Dehydromucate
- Furane-.alpha.,.alpha.'-dicarboxylic acid
- furan-2,5-dicarboxylate
- Furane-alpha,alpha'-dicarboxylic acid
- 2,5-furandicarboxylate
- 2,5-Furandicarboxylicacid
- furan-2,5-dicarbonsaeure
- Dehydromucic acid
- 3238-40-2
- 2,5-Furandicarboxylic acid
2,5-Furandicarboxylic acid Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of 2,5-Furandicarboxylic acid? |
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C6H4O5 |
How many atoms and what are the elements included the 2,5-Furandicarboxylic acid molecule? |
15 atom(s) - 4 Hydrogen atom(s), 6 Carbon atom(s), and 5 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the 2,5-Furandicarboxylic acid structure? |
15 bond(s) - 11 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 2 carboxylic acid(s) (aromatic), 2 hydroxyl group(s), and 1 Furane(s) |
What’s the 2,5-Furandicarboxylic acid’s molecular weight? |
156.09296 g/mol |
What’s the SMILES code of 2,5-Furandicarboxylic acid? |
OC(=O)c1ccc(o1)C(O)=O |
What’s the InChI string of 2,5-Furandicarboxylic acid? |
InChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10) |
What’s the InChIKey code of 2,5-Furandicarboxylic acid? |
CHTHALBTIRVDBM-UHFFFAOYSA-N |
766
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).