Cas no 632-77-9 (9,10-Anthracenedione,1,2,5,6-tetrahydroxy-)
632-77-9 structure
Product Name:9,10-Anthracenedione,1,2,5,6-tetrahydroxy-
9,10-Anthracenedione,1,2,5,6-tetrahydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 9,10-Anthracenedione,1,2,5,6-tetrahydroxy-
- 1,2,5,6-tetrahydroxyanthracene-9,10-dione
- 1,2,5,6-tetrahydroxy-9,10-anthracenedione
- 1,2,5,6-tetrahydroxy-9,10-anthraquinone
- 1,2,5,6-Tetrahydroxy-anthrachinon
- 1,2,5,6-tetrahydroxy-anthraquinone
- 1,2,5,6-Tetrahydroxyanthraquinone
- 1.2.5.6-Tetraoxy-anthrachinon
- 1.2.5.8.-tetrahydroxyanthraquinone
- 1.2.5.8.-Tetraoxyanthrachinon
- AC1L2BVK
- AC1Q6J9F
- CHEBI:37497
- Chinalizarin
- CTK5B8425
- NSC133370
- SureCN2772226
-
- Inchi: 1S/C14H8O6/c15-7-3-1-5-9(13(7)19)12(18)6-2-4-8(16)14(20)10(6)11(5)17/h1-4,15-16,19-20H
- InChI Key: UIAOMKQPMHYQTQ-UHFFFAOYSA-N
- SMILES: O=C1C2C=CC(=C(C=2C(C2C=CC(=C(C=21)O)O)=O)O)O
Computed Properties
- Exact Mass: 272.03204
- Monoisotopic Mass: 272.03208797g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 395
- 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: 2.5
- Topological Polar Surface Area: 115?2
Experimental Properties
- Density: 1.4292 (rough estimate)
- Melting Point: 340°C
- Boiling Point: 375.27°C (rough estimate)
- Refractive Index: 1.5230 (estimate)
- PSA: 115.06
- LogP: 1.28440
9,10-Anthracenedione,1,2,5,6-tetrahydroxy- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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