Cas no 68-81-5 ( )
structure
Product Name:
CAS No:68-81-5
MF:C12H8N2O4
MW:244.202922821045
CID:972165
PubChem ID:135441735
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1,6-PHENAZINEDIOL5,10-DIOXIDE
- 1, 5,10-dioxide
- 1,10-dioxide
- 1,6-dihydroxyphenazine 5,10-dioxide
- 1,6-dihydroxyphenazine-5,10-dioxide
- 1.6-Dihydroxy-phenazin-5.10-dioxyd
- 5,10-Dioxy-phenazin-1,6-diol
- 5,10-dioxy-phenazine-1,6-diol
- 5,6-dihydroxyphenazin-1(5H)-one 10-oxide
- AC1L23HG
- Crystallojodinin A
- Iodinin
- Iodinine
- NCI60_003788
- NSC402910
- 5,10-dioxidophenazine-5,10-diium-1,6-diol
- SCHEMBL3583519
- 1,6-Phenazinediol, 5,10-dioxide
- 68-81-5
- NSC-402910
- 5,6-dihydroxy-10-oxidophenazin-10-ium-1-one
- 1,6-Phenazinediol 5,10-dioxide
- IODININ [MI]
- CHEMBL1987496
- G1239096EO
- Q27278504
-
-
- Inchi： 1S/C12H8N2O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H
- InChI Key： NBMOVCYIGUDQJE-UHFFFAOYSA-N
- SMILES： [O-][N+]1C2C=CC=C(C=2[N+](=C2C=CC=C(C=12)O)[O-])O
Computed Properties
- Exact Mass: 244.04844
- Monoisotopic Mass: 244.04840674g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 287
- 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: 1
- Topological Polar Surface Area: 91.4?2
Experimental Properties
- PSA: 86.84
- pka: 12.5(at 25℃)
Related Literature
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
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
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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