Cas no 5018-84-8 (9,10-Anthracenedione, 1-hydroxy-6,8-dimethoxy-3-methyl-)
5018-84-8 structure
Product Name:9,10-Anthracenedione, 1-hydroxy-6,8-dimethoxy-3-methyl-
CAS No:5018-84-8
MF:C17H14O5
MW:298.290065288544
CID:365572
PubChem ID:361515
Update Time:2025-04-19
9,10-Anthracenedione, 1-hydroxy-6,8-dimethoxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 9,10-Anthracenedione, 1-hydroxy-6,8-dimethoxy-3-methyl-
- 1-hydroxy-6,8-dimethoxy-3-methylanthracene-9,10-dione
- DTXSID50326969
- UNII-1DI503336G
- Emodin 6,8-dimethyl ether
- Anthraquinone, 1-hydroxy-6,8-dimethoxy-3-methyl-
- 1-hydroxy-6,8-dimethoxy-3-methyl-anthracene-9,10-dione
- 8-Hydroxy-1,3-dimethoxy-6-methylanthraquinone
- NSC-624615
- Questin 6-methyl ether
- Q27252287
- CHEMBL451766
- NSC624615
- SCHEMBL16227337
- 1DI503336G
- 1-Hydroxy-3-methyl-6,8-dimethoxyanthraquinone
- Emodin, 1,3-dimethyl ether
- 1-Hydroxy-6,8-dimethoxy-3-methylanthra-9,10-quinone
- 5,7-dimethoxy-4-hydroxy-2-methyl-anthraquinone
- Emodin,3-dimethyl ether
- 5018-84-8
- 1-Hydroxy-6,8-dimethoxy-3-methylanthraquinone
-
- Inchi： 1S/C17H14O5/c1-8-4-10-14(12(18)5-8)17(20)15-11(16(10)19)6-9(21-2)7-13(15)22-3/h4-7,18H,1-3H3
- InChI Key： QJKZQZYKOMVBQO-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(=CC2C(C3C=C(C)C=C(C=3C(C=21)=O)O)=O)OC
Computed Properties
- Exact Mass: 298.08412
- Monoisotopic Mass: 298.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 462
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- PSA: 72.83
9,10-Anthracenedione, 1-hydroxy-6,8-dimethoxy-3-methyl- Related Literature
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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