Cas no 52940-12-2 (9,10-Anthracenedione,1,3,6,8-tetrahydroxy-)
52940-12-2 structure
Product Name:9,10-Anthracenedione,1,3,6,8-tetrahydroxy-
CAS No:52940-12-2
MF:C14H8O6
MW:272.20972442627
CID:370541
PubChem ID:3016789
Update Time:2025-04-19
9,10-Anthracenedione,1,3,6,8-tetrahydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 9,10-Anthracenedione,1,3,6,8-tetrahydroxy-
- 1,3,6,8-tetrahydroxyanthracene-9,10-dione
- 1,3,6,8-Tetrahydroxy-9,10-anthracenedione
- 1,3,6,8-Tetrahydroxy-9,10-anthraquinone
- 701Q96563R
- CHEMBL4644937
- CHEBI:68717
- InChI=1/C14H8O6/c15-5-1-7-11(9(17)3-5)14(20)12-8(13(7)19)2-6(16)4-10(12)18/h1-4,15-18
- SCHEMBL5968219
- 1,3,6,8-tetrahydroxyanthraquinone
- C14H8O6
- SMR003081015
- Q27137137
- MLS004256130
- 9,10-Anthracenedione, 1,3,6,8-tetrahydroxy-
- UNII-701Q96563R
- DTXSID80200980
- 52940-12-2
- ANTHRAQUINONE, 1,3,6,8-TETRAHYDROXY-
- Rheoemodin
-
- Inchi： 1S/C14H8O6/c15-5-1-7-11(9(17)3-5)14(20)12-8(13(7)19)2-6(16)4-10(12)18/h1-4,15-18H
- InChI Key： NTGIIKCGBNGQAR-UHFFFAOYSA-N
- SMILES： O=C1C2C(=CC(=CC=2C(C2C=C(C=C(C=21)O)O)=O)O)O
Computed Properties
- Exact Mass: 272.03204
- Monoisotopic Mass: 272.032088
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 399
- 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
- Surface Charge: 0
- Tautomer Count: 72
- XLogP3: 2
- Topological Polar Surface Area: 115
Experimental Properties
- Density: 1.781
- Boiling Point: 663.9°C at 760 mmHg
- Flash Point: 369.3°C
- Refractive Index: 1.814
- PSA: 115.06
9,10-Anthracenedione,1,3,6,8-tetrahydroxy- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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