Structure & Deep Data of PHTHALIC ANHYDRIDE (C8H4O3)
Identification of PHTHALIC ANHYDRIDE Chemical Compound
Chemical Formula | C8H4O3 |
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Molecular Weight | 148.11556 g/mol |
IUPAC Name | 1,3-dihydro-2-benzofuran-1,3-dione |
SMILES String | O=C1OC(=O)c2ccccc12 |
InChI | InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H |
InChIKey | LGRFSURHDFAFJT-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 PHTHALIC ANHYDRIDE molecule contains a total of 16 bond(s). There are 12 non-H bond(s), 8 multiple bond(s), 2 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 2 ester(s) (aromatic), and 1 anhydride(s) (-thio). Images of the chemical structure of PHTHALIC ANHYDRIDE are given below:
The 2D chemical structure image of PHTHALIC ANHYDRIDE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of PHTHALIC ANHYDRIDE 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 PHTHALIC ANHYDRIDE 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 PHTHALIC ANHYDRIDE. 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 PHTHALIC ANHYDRIDE is provided here.
The PHTHALIC ANHYDRIDE 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 PHTHALIC ANHYDRIDE 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 PHTHALIC ANHYDRIDE 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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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying PHTHALIC ANHYDRIDE Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of PHTHALIC ANHYDRIDE
The SMILES string of PHTHALIC ANHYDRIDE is O=C1OC(=O)c2ccccc12, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the PHTHALIC ANHYDRIDE.
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Structure Data File (SDF/MOL File) of PHTHALIC ANHYDRIDE
The structure data file (SDF/MOL File) of PHTHALIC ANHYDRIDE is available for download in the SDF page of PHTHALIC ANHYDRIDE, which provides the information about the atoms, bonds, connectivity and coordinates of PHTHALIC ANHYDRIDE. The PHTHALIC ANHYDRIDE structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of PHTHALIC ANHYDRIDE
The molecular formula of PHTHALIC ANHYDRIDE is available in chemical formula page of PHTHALIC ANHYDRIDE, 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 PHTHALIC ANHYDRIDE
The molecular weight of PHTHALIC ANHYDRIDE is available in molecular weight page of PHTHALIC ANHYDRIDE, 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 PHTHALIC ANHYDRIDE
The PHTHALIC ANHYDRIDE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of PHTHALIC ANHYDRIDE including the various registry numbers, if available:
- EN300-18017
- BBV-60750578
- Phthalic anhydride, anhydrous, free-flowing, Redi-Dri(TM), ACS reagent, >=99%
- Phthalic anhydride with >0.05% maleic anhydride [UN2214] [Corrosive]
- Phthalic anhydride with >0.05% maleic anhydride [UN2214] [Corrosive]
- Rosin, polymer with pentaerythritol, phthalic anhydride and tall oil
- Phthalic anhydride treated-reduced and alkylated bovine serum albumin
- 1,3-Isobenzofurandione; Benzene-1,2-dicarboxylic anhydride
- F1908-0105
- 3B1-007931
- Phthalic anhydride treated-reduced and alkylated BSA
- I14-2753
- A841333
- Phthalic anhydride, SAJ first grade, >=99.0%
- Phthalic anhydride with >0.05% maleic anhydride
- Phthalic anhydride treated rabbit serum albumin
- Phthalic anhydride treated bovine serum albumin
- P60058
- Phthalic anhydride treated human serum albumin
- Phthalic anhydride, purum, >=97.0% (NT)
- P1614
- Phthalic anhydride, ReagentPlus(R), 99%
- Phthalic anhydride, for synthesis, 99.0%
- Phthalic anhydride, ACS reagent, >=99%
- K528
- CAS-85-44-9
- RTR-026706
- Isobenzofuran,3-dihydro-1,3-dioxo-
- ANW-38182
- 1,3-dihydroisobenzofuran-1,3-dione
- 1,3-dihydro-1,3-dioxoisobenzofuran
- Phthalic anhydride treated casein II
- Phthalic anhydride treated casein I
- Phthalic anhydride treated gelatin
- Phthalic anhydride, 99% 1kg
- Phthalic anhydride treated HSA
- Phthalic anhydride treated BSA
- UN 2214 (Salt/Mix)
- 39363-63-8
- 2-Benzofuran-1,3-dione #
- Isobenzo[b]furan-1,3-dione
- UVL263I5BJ
- Epitope ID:112744
- isobenzofurane-1,3-dione
- Phthal ic acid anhydride
- 1,3 Isobenzofurandione
- 1,3 Phthalandione
- 1,3-Isobenzofurandione, oxidized
- Ht 901
- Retarder PX
- pthalic anhydride
- Phthalicanhydride
- Phthalic anhydride, oxidized
- Araldite HT 901
- Sconoc 7
- Phthalanhydride
- PHTHALIC-D4 ANHYDRIDE
- 68411-80-3
- MFCD00005918
- 1,3-Isobenzofurandione,oxidized
- Phthalic anhydride (molten)
- RCRA waste no. U190
- Anhydrid kyseliny ftalove [Czech]
- Isobenzofuran, 1,3-dihydro-1,3-dioxo-
- Phthalsaeureanhydrid [German]
- Anhydride phtalique [French]
- ortho-phthalic acid anhydride
- Ftalowy bezwodnik [Polish]
- Anidride ftalica [Italian]
- Ftaalzuuranhydride [Dutch]
- phtalic anhydride
- Anhydrid kyseliny ftalove
- Ftalanhydrid [Czech]
- TGL 6525
- RCRA waste number U190
- Wiltrol P
- Vulkalent B
- 1,2-Benzenedicarboxylic anhydride
- Ftalanhydrid
- Anhydride phtalique
- 1,2-Benzenedicarboxylic acid anhydride
- Ftalowy bezwodnik
- Ftaalzuuranhydride
- Anidride ftalica
- ESEN
- Vulkalent B/C
- Retarder PD
- Retarder AK
- Retarder esen
- Phthalandione
- 2-Benzofuran-1,3-dione
- o-Phthalic acid anhydride
- Phthalic acid anhydride
- Phthalsaeureanhydrid
- 1,3-Phthalandione
- 1,3-Dioxophthalan
- 1,3-Isobenzofurandione
- Isobenzofuran-1,3-dione
- 85-44-9
- PHTHALIC ANHYDRIDE
PHTHALIC ANHYDRIDE Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of PHTHALIC ANHYDRIDE? |
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C8H4O3 |
How many atoms and what are the elements included the PHTHALIC ANHYDRIDE molecule? |
15 atom(s) - 4 Hydrogen atom(s), 8 Carbon atom(s), and 3 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the PHTHALIC ANHYDRIDE structure? |
16 bond(s) - 12 non-H bond(s), 8 multiple bond(s), 2 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 2 ester(s) (aromatic), and 1 anhydride(s) (-thio) |
What’s the PHTHALIC ANHYDRIDE’s molecular weight? |
148.11556 g/mol |
What’s the SMILES code of PHTHALIC ANHYDRIDE? |
O=C1OC(=O)c2ccccc12 |
What’s the InChI string of PHTHALIC ANHYDRIDE? |
InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H |
What’s the InChIKey code of PHTHALIC ANHYDRIDE? |
LGRFSURHDFAFJT-UHFFFAOYSA-N |
4592
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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).