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Molecule
Mercury(I) Oxide
CAS: 15829-53-5 · Hg2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 15829-53-5
- Molecular Formula
- Hg2O
- Molecular Mass
- 417.18 g/mol
Identifiers
CAS Registry Number
15829-53-5
SMILES
[Hg].[Hg].[O]
InChI Key
RPZHFKHTXCZXQV-UHFFFAOYSA-N
InChI
InChI=1S/2Hg.O
Names and Synonyms
- Mercury(I) Oxide Synonym
- Mercury oxide (Hg2O) Synonym
- Mercurous oxide Synonym
- Mercury oxide black Synonym
- Mercurous oxide (Hg2O) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 417.18 g/mol | CAS Common Chemistry |
| 417.17900000000003 g/mol | RDKit | |
| 419.93620061999997 g/mol | RDKit | |
| 421.215 g/mol | chempirical lib | |
| Density | 9.80 g/cm³ | CAS Common Chemistry |
| 9.8 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Mercury(I)_oxide | CAS Common Chemistry |
| Canonical SMILES | [Hg]O[Hg] | CAS Common Chemistry |
| InChI | InChI=1S/2Hg.O | CAS Common Chemistry |
| InChI Key | InChIKey=RPZHFKHTXCZXQV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 100 °C (decomp) | CAS Common Chemistry |
| Name | Mercury oxide (Hg2O) | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 28.5 Ų | RDKit |
| LogP | -0.12380000000000001 | RDKit |
| -0.1238 | RDKit | |
| Molar Refractivity | 0.6865 cm³/mol | RDKit |
| Formal Charge | 0 | RDKit |
| Ring Count | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 417.179 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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Quick conversion
MW = 417.18 g/mol; density = 9.800 g/mL. Edit any field — others recompute live.
