iron hydroxide succinate
- Iupac Name：butanedioate;iron(3+);hydroxide
- CAS No.: 7459-88-3
- Molecular Weight：188.9245
- Modify Date.: 2022-11-06 23:34
1. Names and Identifiers
- 1.1 Name
- iron hydroxide succinate
- 1.2 Synonyms
Butanedioic acid/iron(III),(1:x) salt
- 1.3 CAS No.
- 7459-88-3
- 1.4 CID
- 53471534
- 1.5 EINECS(EC#)
- 231-240-6
- 1.6 Molecular Formula
- C4H5FeO5 (isomer)
- 1.7 Inchi
- InChI=1S/C4H6O4.Fe.H2O/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;1H2/q;+3;/p-3
- 1.8 InChIkey
- KIBDTTSROFHEBA-UHFFFAOYSA-K
- 1.9 Canonical Smiles
- C(CC(=O)[O-])C(=O)[O-].[OH-].[Fe+3]
- 1.10 Isomers Smiles
- C(CC(=O)[O-])C(=O)[O-].[OH-].[Fe+3]
2. Properties
- 2.1 Boiling point
- °Cat760mmHg
- 2.1 Flash Point
- °C
- 2.1 Precise Quality
- 188.94900
- 2.1 PSA
- 103.32000
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: 188.9245g/mol
- Molecular Formula: C4H5FeO5
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 188.948634
- Monoisotopic Mass: 188.948634
- Complexity: 81.6
- Rotatable Bond Count: 1
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 81.3
- Heavy Atom Count: 10
- 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: AAADcYBgOAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAAACAAAAAAIAACQCAAAAAAAAAAAAAEAAAAAABAAAAAAAAAEAAAAAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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