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1,8-Dihydroxyanthraquinone
CAS: 117-10-2 | C14H8O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
117-10-2
Molecular Formula:
C14H8O4
Molecular Mass:
240.21 g/mol
Names and Synonyms:
1,8-Dihydroxyanthraquinone
9,10-Anthracenedione, 1,8-dihydroxy-
Anthraquinone, 1,8-dihydroxy-
1,8-Dihydroxy-9,10-anthracenedione
Altan
Antrapurol
Chrysazin
Danthron
Dantron
Diaquone
1,8-Dihydroxyanthraquinone
Dionone
Istin
Istizin
Dorbane
Laxipurin
Zwitsalax
Laxanorm
Laxanthreen
Laxipur
1,8-Dihydroxy-9,10-anthraquinone
1,8-Dioxyanthraquinone
Danthrone
Modane
NSC 38626
NSC 646568
NSC 7210
1,8-Dihydroxy-9,10-dihydroanthracene-9,10-dione
Identifiers:
SMILES:
O=C1c2cccc(O)c2C(=O)c2c(O)cccc21
InChI:
InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
Key Properties
Melting Point
193 °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 | 240.21 g/mol | CAS Common Chemistry |
| 240.21399999999997 g/mol | RDKit | |
| 240.042258736 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=C(O)C2C(=O)C=3C(O)=CC=CC13 | CAS Common Chemistry |
| InChI | InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H | CAS Common Chemistry |
| InChI Key | InChIKey=QBPFLULOKWLNNW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 193 °C | CAS Common Chemistry |
| Name | 1,8-Dihydroxyanthraquinone | 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 | 74.6 Ų | RDKit |
| LogP | 1.873199999999999 | RDKit |
| Molar Refractivity | 63.07860000000002 | RDKit |
