Cas no 24890-66-2 (2,7-Phenazinediol,5,10-dioxide)
24890-66-2 structure
Product Name:2,7-Phenazinediol,5,10-dioxide
CAS No:24890-66-2
MF:C12H8N2O4
MW:244.202922821045
CID:273468
PubChem ID:135441734
Update Time:2025-04-19
2,7-Phenazinediol,5,10-dioxide Chemical and Physical Properties
Names and Identifiers
-
- 2,7-Phenazinediol,5,10-dioxide
- 7,10-dihydroxy-5-oxidophenazin-5-ium-2-one
- 24890-66-2
- DTXSID60323020
- NSC402802
- NSC-402802
-
- Inchi： 1S/C12H8N2O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
- InChI Key： IPTPFONUNHLARK-UHFFFAOYSA-N
- SMILES： [O-][N+]1C2C=CC(=CC=2[N+](=C2C=CC(=CC=12)O)[O-])O
Computed Properties
- Exact Mass: 244.04844
- Monoisotopic Mass: 244.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 494
- 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: -0.1
- Topological Polar Surface Area: 91.4?2
Experimental Properties
- Density: 1.7
- Boiling Point: 561.5°C at 760 mmHg
- Flash Point: 293.4°C
- Refractive Index: 1.82
- PSA: 86.84
2,7-Phenazinediol,5,10-dioxide Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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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
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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