Cas no 838837-11-9 (9,10-Anthracenedione, 1-hydroxy-, dihydrate)
838837-11-9 structure
Product Name:9,10-Anthracenedione, 1-hydroxy-, dihydrate
CAS No:838837-11-9
MF:C14H12O5
MW:260.242084503174
CID:1813036
PubChem ID:71414848
Update Time:2025-04-21
9,10-Anthracenedione, 1-hydroxy-, dihydrate Chemical and Physical Properties
Names and Identifiers
-
- 9,10-Anthracenedione, 1-hydroxy-, dihydrate
- 1-hydroxyanthracene-9,10-dione,dihydrate
- 1-Hydroxyanthracene-9,10-dione--water (1/2)
- DTXSID80834284
- 838837-11-9
-
- Inchi： 1S/C14H8O3.2H2O/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16;;/h1-7,15H;2*1H2
- InChI Key： DXMVTAJZKQWCHH-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=CC=2C(C2C=CC=C(C=21)O)=O.O.O
Computed Properties
- Exact Mass: 260.06847348g/mol
- Monoisotopic Mass: 260.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 0
- Complexity: 349
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 56.4?2
9,10-Anthracenedione, 1-hydroxy-, dihydrate Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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