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Molecule
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
Identifiers
CAS Registry Number
27988-77-8
SMILES
Cl.O.[Au+3].[Cl-].[Cl-].[Cl-]
InChI Key
OVJUDSKPNIBLOO-UHFFFAOYSA-K
InChI
InChI=1S/Au.4ClH.H2O/h;4*1H;1H2/q+3;;;;;/p-3
Names and Synonyms
- Hydrogen Tetrachloroaurate Hydrate Common Name
- Aurate(1-), tetrachloro-, hydrogen, hydrate, (SP-4-1)- Synonym
- Aurate(1-), tetrachloro-, hydrogen, hydrate Synonym
- Hydrogen tetrachloroaurate(1-), hydrate Synonym
- Hydrogen tetrachloroaurate hydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 357.80 g/mol | CAS Common Chemistry |
| 357.802 g/mol | RDKit | |
| 361.822 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 355.86036913600003 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 |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 357.80 g/mol. Edit any field — others recompute live.
