Back to Search
Hydrogen Tetrachloroaurate Hydrate
CAS: 27988-77-8 | H3AuCl4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
27988-77-8
Molecular Formula:
H3AuCl4O
Molecular Mass:
357.80 g/mol
Names and Synonyms:
Hydrogen Tetrachloroaurate Hydrate
Aurate(1-), tetrachloro-, hydrogen, hydrate, (SP-4-1)-
Aurate(1-), tetrachloro-, hydrogen, hydrate
Hydrogen tetrachloroaurate(1-), hydrate
Hydrogen tetrachloroaurate hydrate
Identifiers:
SMILES:
Cl.O.[Au+3].[Cl-].[Cl-].[Cl-]
InChI:
InChI=1S/Au.4ClH.H2O/h;4*1H;1H2/q+3;;;;;/p-3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 357.80 g/mol | CAS Common Chemistry |
| 357.802 g/mol | RDKit | |
| 355.86036913600003 g/mol | RDKit | |
| Canonical SMILES | [H+].[Cl-][Au+3]([Cl-])([Cl-])[Cl-].O | CAS Common Chemistry |
| InChI | InChI=1S/Au.4ClH.H2O/h;4*1H;1H2/q+3;;;;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=OVJUDSKPNIBLOO-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Hydrogen tetrachloroaurate hydrate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 31.5 Ų | RDKit |
| LogP | -9.3934 | RDKit |
| Molar Refractivity | 10.861799999999999 | RDKit |
