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Zinc Salicylate
CAS: 16283-36-6 | C14H10O6Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16283-36-6
Molecular Formula:
C14H10O6Zn
Molecular Mass:
339.62 g/mol
Names and Synonyms:
Zinc Salicylate
Zinc, bis[2-(hydroxy-κO)benzoato-κO]-, (T-4)-
Zinc, bis(salicylato)-
Zinc, bis(2-hydroxybenzoato-O1,O2)-, (T-4)-
(T-4)-Bis[2-(hydroxy-κO)benzoato-κO]zinc
Zinc bis(salicylate)
Bis(salicylato)zinc
Zinc salicylate
Zinc disalicylate
Bontron E 304
E 304
Chuo CCA 100
Bontron E 404
Identifiers:
SMILES:
O=C(O)c1ccccc1O.O=C([O-])c1ccccc1[O-].[Zn+2]
InChI:
InChI=1S/2C7H6O3.Zn/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2
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 | 339.62 g/mol | CAS Common Chemistry |
| 339.618 g/mol | RDKit | |
| 337.97688024 g/mol | RDKit | |
| Canonical SMILES | O=C1[O-][Zn+2]2([O-]C(=O)C=3C=CC=CC3[OH]2)[OH]C=4C=CC=CC14 | CAS Common Chemistry |
| InChI | InChI=1S/2C7H6O3.Zn/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=PZXFWBWBWODQCS-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Zinc salicylate | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 120.72 Ų | RDKit |
| LogP | 0.21159999999999984 | RDKit |
| Molar Refractivity | 65.28460000000003 | RDKit |
