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Molecule
Alizarin
CAS: 72-48-0 · C14H8O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 72-48-0
- Molecular Formula
- C14H8O4
- Molecular Mass
- 240.21 g/mol
Identifiers
CAS Registry Number
72-48-0
SMILES
O=C1c2ccccc2C(=O)c2c1ccc(O)c2O
InChI Key
RGCKGOZRHPZPFP-UHFFFAOYSA-N
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
Names and Synonyms
- Alizarin Synonym
- 9,10-Anthracenedione, 1,2-dihydroxy- Synonym
- Alizarin B Synonym
- Anthraquinone, 1,2-dihydroxy- Synonym
- 1,2-Dihydroxy-9,10-anthracenedione Synonym
- C.I. 58000 Synonym
- Alizarin Synonym
- Alizarina Synonym
- Alizarine Synonym
- Alizarine B Synonym
- Alizarine 3B Synonym
- Alizarine Indicator Synonym
- Alizarine Lake Red 2P Synonym
- Alizarine Lake Red IPX Synonym
- Alizarine NAC Synonym
- Alizarine L Paste Synonym
- Alizarine Paste 20 percent Bluish Synonym
- Alizarine Red Synonym
- Alizarine Red B Synonym
- Alizarine Red B2 Synonym
- Alizarine Red L Synonym
- Alizarine Red IP Synonym
- Alizarine Red IPP Synonym
- 1,2-Anthraquinonediol Synonym
- Alizarine Lake Red 3P Synonym
- Certiqual Alizarine Synonym
- C.I. Mordant Red 11 Synonym
- 1,2-Dihydroxyanthraquinone Synonym
- Eljon Madder Synonym
- Mitsui Alizarine B Synonym
- Turkey red Synonym
- Alizarin Red Synonym
- D And C Orange Number 15 Synonym
- Deep Crimson Madder 10821 Synonym
- 1,2-Dihydroxy-9,10-anthraquinone Synonym
- Mordant Red 11 Synonym
- C Ext. Red 62 Synonym
- Acid Metachrome Red B Synonym
- Acid Mordant Red B Synonym
- NSC 7212 Synonym
- Qiansu Synonym
- CSU-1585 Synonym
- CSU 1585 Synonym
- Rubican Synonym
- 1,2-Dihydroxy-9,10-dihydroanthracene-9,10-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.21 g/mol | CAS Common Chemistry |
| 240.21399999999997 g/mol | RDKit | |
| 240.214 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Alizarin | CAS Common Chemistry |
| Boiling Point | 430 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C3=C(O)C(O)=CC=C13 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=RGCKGOZRHPZPFP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 289.5 °C | CAS Common Chemistry |
| Name | Alizarin | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 74.60000000000001 Ų | RDKit |
| 74.6 Ų | RDKit | |
| LogP | 1.8732000000000006 | RDKit |
| 1.8732 | RDKit | |
| Molar Refractivity | 63.07860000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 240.042258736 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 240.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H8O4.
