Cas no 569-08-4 (9,10-Anthracenedione, 1,7-dihydroxy-)
569-08-4 structure
Product Name:9,10-Anthracenedione, 1,7-dihydroxy-
9,10-Anthracenedione, 1,7-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 9,10-Anthracenedione, 1,7-dihydroxy-
- 1,7-dihydroxy-9,10-anthraquinone
- SCHEMBL2770562
- 1,7-DIHYDROXYANTHRACENE-9,10-DIONE
- 569-08-4
- 1.7-Dioxyanthrachinon
-
- Inchi： 1S/C14H8O4/c15-7-4-5-8-10(6-7)14(18)12-9(13(8)17)2-1-3-11(12)16/h1-6,15-16H
- InChI Key： RCNHHBRUKYBWBP-UHFFFAOYSA-N
- SMILES： O=C1C2C=C(C=CC=2C(C2C=CC=C(C=21)O)=O)O
Computed Properties
- Exact Mass: 240.04224
- Monoisotopic Mass: 240.04225873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 378
- 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: 3.2
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
9,10-Anthracenedione, 1,7-dihydroxy- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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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
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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