Cas no 261-79-0 (Phenoxazin-5-ium)
Phenoxazin-5-ium structure
Product Name:Phenoxazin-5-ium
CAS No:261-79-0
MF:C12H10NO
MW:184.213902950287
CID:256372
PubChem ID:92030460
Update Time:2025-04-19
Phenoxazin-5-ium Chemical and Physical Properties
Names and Identifiers
-
- Phenoxazin-5-ium
- 10H-phenoxazine ion
- Phenazoxonium
- Phenoxazinium
- 261-79-0
- DTXSID20702418
- 10H-Phenoxazin-5-ium
-
- Inchi： 1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H/p+1
- InChI Key： TZMSYXZUNZXBOL-UHFFFAOYSA-O
- SMILES： [OH+]1C2C=CC=CC=2NC2C=CC=CC1=2
Computed Properties
- Exact Mass: 182.06064
- Monoisotopic Mass: 184.076238942g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 187
- 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: 3.3
- Topological Polar Surface Area: 13?2
Experimental Properties
- PSA: 24.19
Phenoxazin-5-ium Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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