aluminum;barium(2+);hydride;borate;hydrate

H4AlBBaO4 — CID 174337827

IUPACaluminum;barium(2+);hydride;borate;hydrate
SMILESO.[Al+3].[Ba+2].[H-].[H-].[O-]B([O-])[O-]
InChIInChI=1S/Al.BO3.Ba.H2O.2H/c;2-1(3)4;;;;/h;;;1H2;;/q+3;-3;+2;;2*-1
InChIKeyPYQZJNQJJZEXJT-UHFFFAOYSA-N
MW243.15 g/mol
LogP-5.31
Rot. Bonds

About aluminum;barium(2+);hydride;borate;hydrate

aluminum;barium(2+);hydride;borate;hydrate (PubChem CID 174337827) has the molecular formula H4AlBBaO4 and a molecular weight of 243.15 g/mol. Its IUPAC name is aluminum;barium(2+);hydride;borate;hydrate.

Molecular Properties

Compound Namealuminum;barium(2+);hydride;borate;hydrate
PubChem CID174337827
Molecular FormulaH4AlBBaO4
Molecular Weight243.15 g/mol
Exact Mass243.91
IUPAC Namealuminum;barium(2+);hydride;borate;hydrate
SMILESO.[Al+3].[Ba+2].[H-].[H-].[O-]B([O-])[O-]
InChIInChI=1S/Al.BO3.Ba.H2O.2H/c;2-1(3)4;;;;/h;;;1H2;;/q+3;-3;+2;;2*-1
InChIKeyPYQZJNQJJZEXJT-UHFFFAOYSA-N
XLogP-5.31
TPSA100.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 5-5.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tris(barium(2+));diborate;dihydrate
CID 157172386
tetraborate;pentahydrate
CID 18463322
dialuminum diborate
CID 22359065
tetraaluminum;triborate;trihydroxide
CID 173042860
aluminum;gadolinium;borate
CID 174462656
aluminum;cerium(3+);borate
CID 19825559
trialuminum;yttrium(3+);tetraborate
CID 117065339
tristrontium;tris(barium(2+));tetraborate
CID 173079299
aluminum;tris(cobalt(2+));triborate
CID 173359634
trisodium;borate;trihydrate
CID 141011813
aluminum;lutetium(3+);borate
CID 18964317
pentaazanium;pentaborate;octahydrate
CID 57347063

Frequently Asked Questions

What is the IUPAC name of aluminum;barium(2+);hydride;borate;hydrate?
The IUPAC name of aluminum;barium(2+);hydride;borate;hydrate (CID 174337827) is aluminum;barium(2+);hydride;borate;hydrate.
What is the SMILES notation for aluminum;barium(2+);hydride;borate;hydrate?
The canonical SMILES for aluminum;barium(2+);hydride;borate;hydrate is O.[Al+3].[Ba+2].[H-].[H-].[O-]B([O-])[O-].
What is the InChIKey of aluminum;barium(2+);hydride;borate;hydrate?
The InChIKey is PYQZJNQJJZEXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.BO3.Ba.H2O.2H/c;2-1(3)4;;;;/h;;;1H2;;/q+3;-3;+2;;2*-1.
What are the key properties of aluminum;barium(2+);hydride;borate;hydrate?
aluminum;barium(2+);hydride;borate;hydrate has a molecular weight of 243.15 g/mol, XLogP of -5.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;barium(2+);hydride;borate;hydrate is sourced from PubChem (CID 174337827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).