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Molecule
Bismuth Subsalicylate
CAS: 14882-18-9 · C7H5BiO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14882-18-9
- Molecular Formula
- C7H5BiO4
- Molecular Mass
- 362.09 g/mol
Identifiers
CAS Registry Number
14882-18-9
SMILES
O=C([O-])c1ccccc1[O-].[Bi+3].[OH-]
InChI Key
ZREIPSZUJIFJNP-UHFFFAOYSA-K
InChI
InChI=1S/C7H6O3.Bi.H2O/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;1H2/q;+3;/p-3
Names and Synonyms
- Bismuth Subsalicylate Common Name
- 4H-1,3,2-Benzodioxabismin-4-one, 2-hydroxy- Synonym
- Bismuth, (2-hydroxybenzoato-O1,O2)oxo- Synonym
- Bismuth, oxo(salicylato)- Synonym
- 2-Hydroxy-4H-1,3,2-benzodioxabismin-4-one Synonym
- Bismuth oxysalicylate Synonym
- Bismuth subsalicylate Synonym
- Basic bismuth salicylate Synonym
- Bismogenol Tosse Inj. Synonym
- Peptosil Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 362.09 g/mol | CAS Common Chemistry |
| 362.09299999999996 g/mol | RDKit | |
| 362.093 g/mol | RDKit | |
| 368.141 g/mol | chempirical lib | |
| Canonical SMILES | O=C1O[Bi](O)OC=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C7H6O3.Bi.H2O/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;1H2/q;+3;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZREIPSZUJIFJNP-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Bismuth subsalicylate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 93.19 Ų | RDKit |
| LogP | -1.4339000000000002 | RDKit |
| -1.4339 | RDKit | |
| Molar Refractivity | 37.90830000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 361.99918234 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| 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.
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MW = 362.09 g/mol. Edit any field — others recompute live.
