Cas no 104316-82-7 (3-carboxypyridinium dichromate)
104316-82-7 structure
Product Name:3-carboxypyridinium dichromate
CAS No:104316-82-7
MF:C12H12Cr2N2O11
MW:464.222686767578
CID:126147
PubChem ID:11026979
Update Time:2025-04-18
3-carboxypyridinium dichromate Chemical and Physical Properties
Names and Identifiers
-
- 3-carboxypyridinium dichromate
- oxido-(oxido(dioxo)chromio)oxy-dioxochromium,pyridin-1-ium-3-carboxylic acid
- DTXSID00452388
- SCHEMBL10594722
- oxido-(oxido(dioxo)chromio)oxy-dioxochromium;pyridin-1-ium-3-carboxylic acid
- 104316-82-7
-
- Inchi： 1S/2C6H5NO2.2Cr.7O/c2*8-6(9)5-2-1-3-7-4-5;;;;;;;;;/h2*1-4H,(H,8,9);;;;;;;;;/q;;;;;;;;;2*-1/p+2
- InChI Key： VBUJEVSSNVOMBR-UHFFFAOYSA-P
- SMILES： [Cr](=O)(=O)([O-])O[Cr](=O)(=O)[O-].OC(C1=CC=C[NH+]=C1)=O.OC(C1=CC=C[NH+]=C1)=O
Computed Properties
- Exact Mass: 459.93606
- Monoisotopic Mass: 463.925119g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 27
- Rotatable Bond Count: 2
- Complexity: 308
- 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: 227?2
Experimental Properties
- PSA: 226.51
- LogP: 0.30360
3-carboxypyridinium dichromate Security Information
- Hazardous Material transportation number：UN 1479
- Safety Term：RIDADR 1479HazardClass 5.1PackingGroup III
- Packing Group：III
- Hazard Level：5.1
3-carboxypyridinium dichromate Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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