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Molecule
Arsenic Acid (H3Aso4), Iron(3+) Salt (1:1)
CAS: 10102-49-5 · H3AsFeO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10102-49-5
- Molecular Formula
- H3AsFeO4
- Molecular Mass
- 197.79 g/mol
Identifiers
CAS Registry Number
10102-49-5
SMILES
O=[As](O)(O)O.[Fe]
InChI Key
OEHRPJBEHMZGLS-UHFFFAOYSA-N
InChI
InChI=1S/AsH3O4.Fe/c2-1(3,4)5;/h(H3,2,3,4,5);
Names and Synonyms
- Arsenic Acid (H3Aso4), Iron(3+) Salt (1:1) Synonym
- Arsenic acid (H3AsO4), iron(3+) salt (1:1) Synonym
- Iron arsenate (FeAsO4) Synonym
- Ferric arsenate Synonym
- Iron arsenate Synonym
- Iron(III) arsenate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 197.79 g/mol | CAS Common Chemistry |
| 197.859667576 g/mol | RDKit | |
| 197.787 g/mol | RDKit | |
| 199.803 g/mol | chempirical lib | |
| Canonical SMILES | [Fe].O=[As](O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/AsH3O4.Fe/c2-1(3,4)5;/h(H3,2,3,4,5); | CAS Common Chemistry |
| InChI Key | InChIKey=OEHRPJBEHMZGLS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Arsenic acid (H3AsO4), iron(3+) salt (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.76 Ų | RDKit |
| LogP | -2.1731000000000003 | RDKit |
| -2.1731 | RDKit | |
| Molar Refractivity | 13.096899999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 197.78699999999998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 197.79 g/mol. Edit any field — others recompute live.
