SODIUM CALCIUM ALUMINOSILICATE, HYDRATED
General Information
| Mainterm | SODIUM CALCIUM ALUMINOSILICATE, HYDRATED |
| Doc Type | NIL |
| CAS Reg.No.(or other ID) | 1344-01-0 |
| Regnum |
182.2729 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 44144394 |
| IUPAC Name | aluminum;calcium;sodium;silicate |
| InChI | InChI=1S/Al.Ca.Na.O4Si/c;;;1-5(2,3)4/q+3;+2;+1;-4 |
| InChI Key | IDZYHGDLWGVHQM-UHFFFAOYSA-N |
| Canonical SMILES | [O-][Si]([O-])([O-])[O-].[Na+].[Al+3].[Ca+2] |
| Molecular Formula | AlCaNaO4Si+2 |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 182.13 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Complexity | 19.1 |
| CACTVS Substructure Key Fingerprint | A A A D c Q A A O C g A A B g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A E A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 92.2 |
| Monoisotopic Mass | 181.89 |
| Exact Mass | 181.89 |
| Compound Is Canonicalized | True |
| Formal Charge | 2 |
| Heavy Atom Count | 8 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 4 |
From Pubchem