ALUMINUM BORATE
General Information
| Mainterm | ALUMINUM BORATE |
| CAS Reg.No.(or other ID) | 11121-16-7 |
| Regnum |
178.3130 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 16204948 |
| IUPAC Name | aluminum;borate |
| InChI | InChI=1S/Al.BO3/c;2-1(3)4/q+3;-3 |
| InChI Key | OJMOMXZKOWKUTA-UHFFFAOYSA-N |
| Canonical SMILES | B([O-])([O-])[O-].[Al+3] |
| Molecular Formula | AlBO3 |
| Wikipedia | aluminum borate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 85.789 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Complexity | 8.0 |
| CACTVS Substructure Key Fingerprint | A A A D c Q I A M A A A A B 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 I 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 A A A A A A = = |
| Topological Polar Surface Area | 69.2 |
| Monoisotopic Mass | 85.976 |
| Exact Mass | 85.976 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 5 |
| 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 | 2 |
From Pubchem