Cas no 15078-96-3 (Andradite(Ca3Fe2(SiO4)3) (9CI))
15078-96-3 structure
Product Name:Andradite(Ca3Fe2(SiO4)3) (9CI)
CAS No:15078-96-3
MF:Ca3Fe2O12Si3
MW:508.173303604126
CID:120795
PubChem ID:165430147
Update Time:2025-04-18
Andradite(Ca3Fe2(SiO4)3) (9CI) Chemical and Physical Properties
Names and Identifiers
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- Andradite(Ca3Fe2(SiO4)3) (9CI)
- andradite
- GARNET
- GARNET, ANDRADITE
- 15078-96-3
-
- MDL： MFCD09954186
- Inchi： 1S/3Ca.2Fe.3O4Si/c;;;;;3*1-5(2,3)4/q3*+2;2*+3;3*-4
- InChI Key： ZHMRUDDUAQEJEP-UHFFFAOYSA-N
- SMILES： [Fe+3].[Fe+3].[Ca+2].[Ca+2].[Ca+2].[Si]([O-])([O-])([O-])[O-].[Si]([O-])([O-])([O-])[O-].[Si]([O-])([O-])([O-])[O-]
Computed Properties
- Exact Mass: 507.62700
- Monoisotopic Mass: 507.627399g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 19.1
- Covalently-Bonded Unit Count: 8
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 277?2
Experimental Properties
- PSA: 276.72000
- LogP: -2.57300
Andradite(Ca3Fe2(SiO4)3) (9CI) Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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2. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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