Molecular Weight of Alizarin (C14H8O4)
Identification of Alizarin Chemical Compound
| Chemical Formula | C14H8O4 |
|---|---|
| Molecular Weight | 240.21092 g/mol |
| IUPAC Name | 1,2-dihydroxy-9,10-dihydroanthracene-9,10-dione |
| SMILES String | Oc3ccc2C(=O)c1ccccc1C(=O)c2c3O |
| InChI | InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H |
| InChIKey | RGCKGOZRHPZPFP-UHFFFAOYSA-N |
Molecular Weight Description
The Alizarin molecule consists of 8 Hydrogen atom(s), 14 Carbon atom(s), and 4 Oxygen atom(s) - a total of 26 atom(s). The molecular weight of Alizarin is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 240.21092 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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Additional Information for Identifying Alizarin Molecule
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Structure Data File (SDF/MOL File) of Alizarin
The structure data file (SDF/MOL File) of Alizarin is available for download in the SDF page of Alizarin, which provides the information on atoms, bonds, connectivity and coordinates of Alizarin. The Alizarin structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of Alizarin
The molecular structure image of Alizarin is available in chemical structure page of Alizarin, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Alizarin and the chemical bonds that hold the atoms together.
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Chemical formula of Alizarin
The molecular formula of Alizarin is given in chemical formula page of Alizarin, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of Alizarin
In addition to the molecular weight information, the structural information of Alizarin in a textual expression is available via InChi. The full standard InChI of Alizarin is given below:
InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H
It can provide a way to encode the molecular information of Alizarin 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 Alizarin is:
InChIKey=RGCKGOZRHPZPFP-UHFFFAOYSA-N
It may allow easier web searches for Alizarin. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Alizarin as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Alizarin
There may be different names of the Alizarin compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- 84754-86-9
- 1328-02-5
- 2,9-DIHYDROXY-1,10-DIHYDROANTHRACENE-1,10-DIONE
- I14-16575
- SR-05000002485-1
- C-34292
- AE-641/00185064
- A837539
- EN300-136088
- D0242
- 4CH-011256
- L933
- 1,2-bis(oxidanyl)anthracene-9,10-dione
- SDCCGMLS-0066502.P001
- RTR-023675
- LN: L C666 BV IVJ EQ FQ1
- 1,2-Dihydroxyanthra-9,10-quinone #
- Rubia, alizarin crimson, 72-48-0
- CCG-38668
- BDBM50206434
- ANW-36201
- HMS3651P05
- HMS1923C03
- 60MEW57T9G
- Alizarin, Dye content 97 %
- ARONIS27045
- Mordant red 11, Alizarin e
- 1322-60-7
- SPECTRUM210850
- Epitope ID:116187
- 9, 1,2-dihydroxy-
- ATHRAQUINONES A
- Sanyo Carmine l2BT
- Alizarin, p.a.
- 9,10-Anthracenedione, dihydroxy-
- Turkey ree
- Pincoffin
- Hystazarin
- 140861-55-8
- CAS-72-48-0
- W-104489
- 1,10-Anthracenedione, 2,9-dihydroxy-
- Az
- MFCD00001201
- Alizarin (C.I. 58000)
- CI 58000
- 1,2-Dihydroxy anthraquinone
- DIHYDROXY-9,10-ANTHRACENEDIONE
- 1,2-Dihydroxyanthrachinon [Czech]
- Anthraquinone, 1,2-dihydroxy-
- D and C Orange No. 15
- 1,2-Dihydroxy-anthraquinone
- C.I. 58000C
- alizarin crimson
- Rubia
- rose madder
- crimson madder
- C.I. 58000
- Turkey Red (VAN)
- Alizarine paste 20% bluish
- Alizarine Paste 20 percent Bluish
- 9,10-Anthracenedione, 1,2-dihydroxy-
- Alizarinprimeveroside
- 1,2-Dihydroxyanthrachinon
- Deep Crimson Madder 10821E
- Deep Crimson Madder 10821
- D and C Orange Number 15D
- D And C Orange Number 15
- C.I. Pigment Red 83C
- C.I. Mordant Red 11C
- C.I. Pigment Red 83
- C.I. Mordant Red 11
- 1,2-Dihydroxyanthra-9,10-quinone
- Pigment red 83
- Alizarine Lake Red IPX
- Alizarine Lake Red 3P
- Alizarine Lake Red 2P
- Certiqual Alizarine D
- Mitsui Alizarine BS
- Sanyo Carmine L2B
- 1,2-Dihydroxy-9,10-anthracenedione
- Mitsui Alizarine B
- Alizerine Red IPP
- Alizarine Red IPP
- Alizarine Red B2
- Certiqual Alizarine
- Alizarine indicator
- Alizarine Red IP
- 1,2-Dihydroxy-9,10-anthraquinone
- Turkey Red W
- Alizarine L paste
- Eljon Madder M
- Alizarine 3B
- Alizarine Red L
- Alizarine Red B
- Alizerine NAC
- Alizarine NAC
- Eljon Madder
- Alizarine B
- Alizarine Red
- Alizarina
- ALIZARINE
- 1,2-Anthraquinonediol
- Turkey Red
- Alizarin B
- 1,2-Dihydroxyanthraquinone
- Mordant Red 11
- 1,2-dihydroxyanthracene-9,10-dione
- Alizarin Red
- 72-48-0
- Alizarin
Alizarin Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of Alizarin? |
|---|
| C14H8O4 |
| How many atoms and what are the elements in the Alizarin molecule? |
| 26 atom(s) - 8 Hydrogen atom(s), 14 Carbon atom(s), and 4 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the Alizarin structure? |
| 28 bond(s) - 20 non-H bond(s), 14 multiple bond(s), 2 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 2 ten-membered ring(s), 2 ketone(s) (aromatic), and 2 aromatic hydroxyl(s) |
| What’s the molar mass of Alizarin? |
| 240.21092 g/mol |
| What’s the SMILES format of Alizarin? |
| Oc3ccc2C(=O)c1ccccc1C(=O)c2c3O |
| What’s the InChI format of Alizarin? |
| InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H |
| What’s the InChIKey string of Alizarin? |
| RGCKGOZRHPZPFP-UHFFFAOYSA-N |
1439
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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).