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Molecule
Zirconate(2-), Bis[Carbonato(2-)-Κo]Dihydroxy-, Ammonium (1:2), (T-4)-
CAS: 68309-95-5 · C2H10N2O8Zr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 68309-95-5
- Molecular Formula
- C2H10N2O8Zr
- Molecular Mass
- 281.33 g/mol
Identifiers
CAS Registry Number
68309-95-5
SMILES
N.N.O.O.O=C([O-])[O-].O=C([O-])[O-].[Zr+4]
InChI Key
VTZCXKGZGDSBQC-UHFFFAOYSA-J
InChI
InChI=1S/2CH2O3.2H3N.2H2O.Zr/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);2*1H3;2*1H2;/q;;;;;;+4/p-4
Names and Synonyms
- Zirconate(2-), Bis[Carbonato(2-)-Κo]Dihydroxy-, Ammonium (1:2), (T-4)- Systematic Name
- Zirconate(2-), bis[carbonato(2-)-κO]dihydroxy-, ammonium (1:2), (T-4)- Synonym
- Zirconate(2-), bis[carbonato(2-)-O]dihydroxy-, diammonium, (T-4)- Synonym
- Zirconate(2-), bis[carbonato(2-)-κO]dihydroxy-, diammonium, (T-4)- Synonym
- Carbonic acid, zirconium complex Synonym
- Diammonium bis(carbonato)dihydroxyzirconate(2-) Synonym
- Ammonium zirconium carbonate hydroxide ((NH4)2Zr(CO3)2(OH)2) Synonym
- Zircosol AC 20 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 281.33 g/mol | CAS Common Chemistry |
| 281.332 g/mol | RDKit | |
| 289.396 g/mol | chempirical lib | |
| Canonical SMILES | O=C([O-])[O-][Zr+4]([OH-])([OH-])[O-]C(=O)[O-].[NH4+] | CAS Common Chemistry |
| InChI | InChI=1S/2CH2O3.2H3N.2H2O.Zr/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);2*1H3;2*1H2;/q;;;;;;+4/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=VTZCXKGZGDSBQC-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Zirconate(2-), bis[carbonato(2-)-κO]dihydroxy-, ammonium (1:2), (T-4)- | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 259.38 Ų | RDKit |
| LogP | -6.221900000000001 | RDKit |
| -6.2219 | RDKit | |
| Molar Refractivity | 28.063800000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 279.94841968000003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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20
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| 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 = 281.33 g/mol. Edit any field — others recompute live.
