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Molecule
Zinc Salicylate
CAS: 16283-36-6 · C14H10O6Zn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16283-36-6
- Molecular Formula
- C14H10O6Zn
- Molecular Mass
- 339.62 g/mol
Identifiers
CAS Registry Number
16283-36-6
SMILES
O=C(O)c1ccccc1O.O=C([O-])c1ccccc1[O-].[Zn+2]
InChI Key
PZXFWBWBWODQCS-UHFFFAOYSA-L
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
Names and Synonyms
- Zinc Salicylate Synonym
- Zinc, bis[2-(hydroxy-κO)benzoato-κO]-, (T-4)- Synonym
- Zinc, bis(salicylato)- Synonym
- Zinc, bis(2-hydroxybenzoato-O1,O2)-, (T-4)- Synonym
- (T-4)-Bis[2-(hydroxy-κO)benzoato-κO]zinc Synonym
- Zinc bis(salicylate) Synonym
- Bis(salicylato)zinc Synonym
- Zinc salicylate Synonym
- Zinc disalicylate Synonym
- Bontron E 304 Synonym
- E 304 Synonym
- Chuo CCA 100 Synonym
- Bontron E 404 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 339.62 g/mol | CAS Common Chemistry |
| 339.618 g/mol | RDKit | |
| 343.64 g/mol | chempirical lib | |
| 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 |
| 0.2116 | RDKit | |
| Molar Refractivity | 65.28460000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 337.97688024 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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100
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20
0 ppm
| 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 = 339.62 g/mol. Edit any field — others recompute live.
