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Bismuth Subsalicylate
CAS: 14882-18-9 | C7H5BiO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14882-18-9
Molecular Formula:
C7H5BiO4
Molecular Mass:
362.09 g/mol
Names and Synonyms:
Bismuth Subsalicylate
4H-1,3,2-Benzodioxabismin-4-one, 2-hydroxy-
Bismuth, (2-hydroxybenzoato-O1,O2)oxo-
Bismuth, oxo(salicylato)-
2-Hydroxy-4H-1,3,2-benzodioxabismin-4-one
Bismuth oxysalicylate
Bismuth subsalicylate
Basic bismuth salicylate
Bismogenol Tosse Inj.
Peptosil
Identifiers:
SMILES:
O=C([O-])c1ccccc1[O-].[Bi+3].[OH-]
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
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 | 362.09 g/mol | CAS Common Chemistry |
| 362.09299999999996 g/mol | RDKit | |
| 361.99918234 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 37.90830000000001 | RDKit |
