Iron carbonate hydroxide
- Iupac Name:iron(3+);carbonate;hydroxide
- CAS No.: 12626-75-4
- Molecular Weight:132.86124
- Modify Date.: 2023-03-10 00:33
1. Names and Identifiers
- 1.1 Name
- Iron carbonate hydroxide
- 1.2 Synonyms
FERROUS CARBONATE iron(3+),carbonate,hydroxide
- 1.3 CAS No.
- 12626-75-4
- 1.4 CID
- 10011931
- 1.5 Molecular Formula
- CHFeO4 (isomer)
- 1.6 Inchi
- InChI=1S/CH2O3.Fe.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/q;+3;/p-3
- 1.7 InChIkey
- PGLSLLAVUSVEKA-UHFFFAOYSA-K
- 1.8 Canonical Smiles
- C(=O)([O-])[O-].[OH-].[Fe+3]
- 1.9 Isomers Smiles
- C(=O)([O-])[O-].[OH-].[Fe+3]
3. 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
4. Computational chemical data
- Molecular Weight: 132.86124g/mol
- Molecular Formula: CHFeO4
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 132.922419
- Monoisotopic Mass: 132.922419
- Complexity: 18.8
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 64.2
- Heavy Atom Count: 6
- 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: 3
- CACTVS Substructure Key Fingerprint: AAADcQAAOAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAACAAAAAAAAAAACAAAAAAIAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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6. Realated Product Infomation