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2-Hydroxyanthraquinone
CAS: 605-32-3 | C14H8O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
605-32-3
Molecular Formula:
C14H8O3
Molecular Mass:
224.21 g/mol
Names and Synonyms:
2-Hydroxyanthraquinone
9,10-Anthracenedione, 2-hydroxy-
Anthraquinone, 2-hydroxy-
2-Hydroxy-9,10-anthracenedione
2-Hydroxyanthraquinone
2-Hydroxy-9,10-anthraquinone
β-Hydroxyanthraquinone
NSC 2595
2-Hydroxy-9,10-dihydroanthracene-9,10-dione
Identifiers:
SMILES:
O=C1c2ccccc2C(=O)c2cc(O)ccc21
InChI:
InChI=1S/C14H8O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,15H
Key Properties
Melting Point
306 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 224.21 g/mol | CAS Common Chemistry |
| 224.21499999999997 g/mol | RDKit | |
| 224.047344116 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C3=CC(O)=CC=C13 | CAS Common Chemistry |
| InChI | InChI=1S/C14H8O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,15H | CAS Common Chemistry |
| InChI Key | InChIKey=GCDBEYOJCZLKMC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 306 °C | CAS Common Chemistry |
| Name | 2-Hydroxyanthraquinone | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| LogP | 2.1676 | RDKit |
| Molar Refractivity | 61.41380000000002 | RDKit |
