Cas no 12027-82-6 (Zirconate(2-),[orthosilicato(4-)-O]oxo-, dilithium (9CI))
12027-82-6 structure
Product Name:Zirconate(2-),[orthosilicato(4-)-O]oxo-, dilithium (9CI)
CAS No:12027-82-6
MF:LiO4SiZr
MW:190.248100280762
CID:118849
PubChem ID:57347050
Update Time:2025-04-18
Zirconate(2-),[orthosilicato(4-)-O]oxo-, dilithium (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Zirconate(2-),[orthosilicato(4-)-O]oxo-, dilithium (9CI)
- LITHIUM ZIRCONIUM SILICATE
- lithium,zirconium(4+),silicate
- CTK4B1778
- Lithiumzirconium silicate (Li2ZrO(SiO4)) (6CI,7CI)
- Silicic acid (H4SiO4),zirconiumcomplex
- PUBCHEM_57347050
- DTXSID60721340
- lithium;zirconium(4+);silicate
- 12027-82-6
-
- Inchi: 1S/Li.O4Si.Zr/c;1-5(2,3)4;/q+1;-4;+4
- InChI Key: NPYBZLSHSSEZJX-UHFFFAOYSA-N
- SMILES: [Zr+4].[Si]([O-])([O-])([O-])[O-].[Li+]
Computed Properties
- Exact Mass: 331.82200
- Monoisotopic Mass: 188.877287g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 19.1
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 92.2?2
Experimental Properties
- PSA: 189.57000
- LogP: -2.21160
Zirconate(2-),[orthosilicato(4-)-O]oxo-, dilithium (9CI) Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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