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Molecule
Lithium Salicylate
CAS: 552-38-5 · C7H6LiO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 552-38-5
- Molecular Formula
- C7H6LiO3
- Molecular Mass
- 145.06 g/mol
Identifiers
CAS Registry Number
552-38-5
SMILES
O=C(O)c1ccccc1O.[Li]
InChI Key
BEVDQFZIRVKSGM-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O3.Li/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);
Names and Synonyms
- Lithium Salicylate Common Name
- Benzoic acid, 2-hydroxy-, lithium salt (1:1) Synonym
- Salicylic acid, monolithium salt Synonym
- Benzoic acid, 2-hydroxy-, monolithium salt Synonym
- Lithium salicylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 145.06 g/mol | CAS Common Chemistry |
| 145.063 g/mol | RDKit | |
| 146.071 g/mol | chempirical lib | |
| Canonical SMILES | [Li].O=C(O)C=1C=CC=CC1O | CAS Common Chemistry |
| InChI | InChI=1S/C7H6O3.Li/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10); | CAS Common Chemistry |
| InChI Key | InChIKey=BEVDQFZIRVKSGM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lithium salicylate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 0.7095999999999998 | RDKit |
| 0.7096 | RDKit | |
| Molar Refractivity | 40.82010000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 145.047698602 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 145.06 g/mol. Edit any field — others recompute live.
