Cas no 91805-25-3 (2,2'-methanediylbis(3,6-dihydroxycyclohexa-2,5-diene-1,4-dione))
91805-25-3 structure
Product Name:2,2'-methanediylbis(3,6-dihydroxycyclohexa-2,5-diene-1,4-dione)
CAS No:91805-25-3
MF:C13H8O8
MW:292.197824478149
CID:1970752
PubChem ID:258648
Update Time:2025-04-21
2,2'-methanediylbis(3,6-dihydroxycyclohexa-2,5-diene-1,4-dione) Chemical and Physical Properties
Names and Identifiers
-
- 2,2'-methanediylbis(3,6-dihydroxycyclohexa-2,5-diene-1,4-dione)
- 3-[(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
- 91805-25-3
- NSC-87859
- DTXSID40293217
- NSC87859
- NCIOpen2_005284
-
- Inchi： 1S/C13H8O8/c14-6-2-7(15)11(19)4(10(6)18)1-5-12(20)8(16)3-9(17)13(5)21/h2-3,14,16,19,21H,1H2
- InChI Key： UFPXJGJTBDBIOM-UHFFFAOYSA-N
- SMILES： OC1C(C=C(C(C=1CC1C(C(=CC(C=1O)=O)O)=O)=O)O)=O
Computed Properties
- Exact Mass: 292.022
- Monoisotopic Mass: 292.022
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 667
- 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: -0.5
- Topological Polar Surface Area: 149?2
Experimental Properties
- Density: 2.063
- Boiling Point: 582.7°C at 760 mmHg
- Flash Point: 320.2°C
- Refractive Index: 1.85
- PSA: 149.20000
- LogP: 0.18810
2,2'-methanediylbis(3,6-dihydroxycyclohexa-2,5-diene-1,4-dione) Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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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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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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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