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Molecule
Sodium Salicylate
CAS: 54-21-7 · C7H6NaO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 54-21-7
- Molecular Formula
- C7H6NaO3
- Molecular Mass
- 161.11 g/mol
Identifiers
CAS Registry Number
54-21-7
SMILES
O=C(O)c1ccccc1O.[Na]
InChI Key
REWPEPFZCALMJB-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);
Names and Synonyms
- Sodium Salicylate Synonym
- Benzoic acid, 2-hydroxy-, sodium salt (1:1) Synonym
- Sodium salicylate Synonym
- Salicylic acid, monosodium salt Synonym
- Benzoic acid, 2-hydroxy-, monosodium salt Synonym
- Aroall Synonym
- Clin Synonym
- Enterosalil Synonym
- Magsalyl Synonym
- Salicylic acid sodium salt Synonym
- Sodium salicylate (NaO3C7H5) Synonym
- Monosodium salicylate Synonym
- Sodium o-hydroxybenzoate Synonym
- Entrosalyl Synonym
- Salisod Synonym
- Glutosalyl Synonym
- Salsonin Synonym
- Kerasalicyl Synonym
- Kerosal Synonym
- Nadisal Synonym
- Neo-Salicyl Synonym
- Sodium 2-hydroxybenzoate Synonym
- Camporisin Synonym
- o-Hydroxybenzoic acid monosodium salt Synonym
- Enterosalicyl Synonym
- Alysine Synonym
- Idocyl Synonym
- Saliject Synonym
- NaSal 31821-45 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 161.11 g/mol | CAS Common Chemistry |
| 161.112 g/mol | RDKit | |
| 162.12 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_salicylate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=C(O)C=1C=CC=CC1O | CAS Common Chemistry |
| InChI | InChI=1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10); | CAS Common Chemistry |
| InChI Key | InChIKey=REWPEPFZCALMJB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 213 °C (decomp) | CAS Common Chemistry |
| Name | Sodium 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 | 161.021463332 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 161.11 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H6NaO3.
