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Molecule
Tetrachloroauric Acid Trihydrate
CAS: 16961-25-4 · H7AuCl4O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16961-25-4
- Molecular Formula
- H7AuCl4O3
- Molecular Mass
- 393.83 g/mol
Identifiers
CAS Registry Number
16961-25-4
SMILES
Cl.O.O.O.[Au+3].[Cl-].[Cl-].[Cl-]
InChI Key
XYYVDQWGDNRQDA-UHFFFAOYSA-K
InChI
InChI=1S/Au.4ClH.3H2O/h;4*1H;3*1H2/q+3;;;;;;;/p-3
Names and Synonyms
- Tetrachloroauric Acid Trihydrate Common Name
- Aurate(1-), tetrachloro-, hydrogen, trihydrate, (SP-4-1)- Synonym
- Aurate(1-), tetrachloro-, hydrogen, trihydrate Synonym
- Gold chloride, acid, trihydrate Synonym
- Gold acid chloride trihydrate Synonym
- Gold acid chloride Synonym
- Hydrogen tetrachloroaurate(1-) trihydrate Synonym
- Tetrachloroauric acid trihydrate Synonym
- Hydrogen tetrachloroaurate(III) trihydrate Synonym
- Chloroauric acid trihydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 393.83 g/mol | CAS Common Chemistry |
| 393.832 g/mol | RDKit | |
| 397.852 g/mol | chempirical lib | |
| Canonical SMILES | [H+].[Cl-][Au+3]([Cl-])([Cl-])[Cl-].O | CAS Common Chemistry |
| InChI | InChI=1S/Au.4ClH.3H2O/h;4*1H;3*1H2/q+3;;;;;;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=XYYVDQWGDNRQDA-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Tetrachloroauric acid trihydrate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 94.5 Ų | RDKit |
| LogP | -11.042799999999998 | RDKit |
| -11.0428 | RDKit | |
| Molar Refractivity | 18.089399999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 391.88149850400004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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 = 393.83 g/mol. Edit any field — others recompute live.
