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Iron carbonate hydroxide structure

Iron carbonate hydroxide

CAS：12626-75-4
MW:132.86124
MF：CHFeO4

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Names and ldentifier
Msds
Computational chemical data
Realated Product Infomation

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

1.6 Inchi: InChI=1S/CH2O3.Fe.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/q;+3;/p-3

1.7 InChkey: 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]

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：132.86124g/mol
Molecular Formula：CHFeO₄
Compound Is Canonicalized：True
XLogP3-AA：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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5. Realated Product Infomation

1. Names and Identifiers

1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles

3. Computational chemical data

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5. Realated Product Infomation

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