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Molecule
Bismuth Subgallate
CAS: 99-26-3 · C7H5BiO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 99-26-3
- Molecular Formula
- C7H5BiO6
- Molecular Mass
- 394.09 g/mol
Identifiers
CAS Registry Number
99-26-3
SMILES
O.O=C(O)c1cc([O-])c([O-])c([O-])c1.[Bi+3]
InChI Key
JAONZGLTYYUPCT-UHFFFAOYSA-K
InChI
InChI=1S/C7H6O5.Bi.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;/h1-2,8-10H,(H,11,12);;1H2/q;+3;/p-3
Names and Synonyms
- Bismuth Subgallate Common Name
- 1,3,2-Benzodioxabismole-5-carboxylic acid, 2,7-dihydroxy- Synonym
- Bismuth subgallate Synonym
- 2,7-Dihydroxy-1,3,2-benzodioxabismole-5-carboxylic acid Synonym
- Bismuth gallate, basic Synonym
- Dermatol Synonym
- Basic bismuth gallate Synonym
- Devrom Synonym
- Bismuth(III) subgallate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 394.09 g/mol | CAS Common Chemistry |
| 394.091 g/mol | RDKit | |
| 400.139 g/mol | chempirical lib | |
| Canonical SMILES | O=C(O)C1=CC(O)=C2O[Bi](O)OC2=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H6O5.Bi.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;/h1-2,8-10H,(H,11,12);;1H2/q;+3;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=JAONZGLTYYUPCT-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Bismuth subgallate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 137.98 Ų | RDKit |
| LogP | -2.5999 | RDKit |
| Molar Refractivity | 41.10710000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 393.98901158 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 394.09 g/mol. Edit any field — others recompute live.
