1. Names and Identifiers
- 1.1 Name
- COBALT POTASSIUM OXALATE
- 1.2 Synonyms
- Cobalt - ethanedioic acid (1:3); COBALT POTASSIUM OXALATE; Ethanedioic acid, cobalt salt (3:1); POTASSIUM TRIOXALATOCOBALTATE (III); POTASSIUM TRIOXALATOCOBALTATE (III)POTASSIUM TRIOXALATOCOBALTATE (III)POTASSIUM TRIOXALATOCOBALTATE (III)POTASSIUM TRIOXALATOCOBALTATE (III); POTASSIUM TRIOXALATOCOBALTIATE; POTASSIUM TRIS(OXALATO)COBALTATE(III);
- 1.3 CAS No.
- 14239-07-7
- 1.4 CID
- 417991
- 1.5 Molecular Formula
- C6H6CoO12
- 1.6 Inchi
- InChI=1S/3C2H2O4.Co/c3*3-1(4)2(5)6;/h3*(H,3,4)(H,5,6);
- 1.7 InChkey
- ZEWYMQRVOOQRPV-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.[Co]
- 1.9 Isomers Smiles
- C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.[Co]
2. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
3. Computed Properties
- Molecular Weight：329.035g/mol
- Molecular Formula：C6H6CoO12
- Compound Is Canonicalized：True
- XLogP3-AA：328.919119
- Monoisotopic Mass：328.919119
- Complexity：277
- Rotatable Bond Count：0
- Hydrogen Bond Donor Count：6
- Hydrogen Bond Acceptor Count：12
- Topological Polar Surface Area：224
- Heavy Atom Count：：19
- Defined Atom Stereocenter Count：0
- Undefined Atom Stereocenter Count：0
- Defined Bond Stereocenter Count：0
- Undefined Bond Stereocenter Count：0
- Isotope Atom Count：0
- Covalently-Bonded Unit Count：4
- CACTVS Substructure Key Fingerprint：AAADcYBgPAAAAAAQAAAAAAAAAAAAASJEgAAAAAAAAAAAAAAAAAAACgAACAAAAAAAgAAACAAAAgAIAACQCAIAAAAAAAAAAABAAAABAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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Update Time:2019/11/25
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Update Time:2019/11/25
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Update Time:2010/12/18
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Update Time:2022/01/01
5. Realated Product Infomation
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