beryllium;barium(2+);boric acid;hydride;hydrate

H9BBaBeO4 — CID 174321791

IUPACberyllium;barium(2+);boric acid;hydride;hydrate
SMILESO.OB(O)O.[Ba+2].[Be+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/BH3O3.Ba.Be.H2O.4H/c2-1(3)4;;;;;;;/h2-4H;;;1H2;;;;/q;2*+2;;4*-1
InChIKeyKUULXFJXOZYDAG-UHFFFAOYSA-N
MW230.22 g/mol
LogP-3.19
Rot. Bonds

About beryllium;barium(2+);boric acid;hydride;hydrate

beryllium;barium(2+);boric acid;hydride;hydrate (PubChem CID 174321791) has the molecular formula H9BBaBeO4 and a molecular weight of 230.22 g/mol. Its IUPAC name is beryllium;barium(2+);boric acid;hydride;hydrate.

Molecular Properties

Compound Nameberyllium;barium(2+);boric acid;hydride;hydrate
PubChem CID174321791
Molecular FormulaH9BBaBeO4
Molecular Weight230.22 g/mol
Exact Mass230.98
IUPAC Nameberyllium;barium(2+);boric acid;hydride;hydrate
SMILESO.OB(O)O.[Ba+2].[Be+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/BH3O3.Ba.Be.H2O.4H/c2-1(3)4;;;;;;;/h2-4H;;;1H2;;;;/q;2*+2;;4*-1
InChIKeyKUULXFJXOZYDAG-UHFFFAOYSA-N
XLogP-3.19
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-3.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;boric acid;hydride;dihydrate
CID 175521118
sodium;boric acid;hydride;tetrahydrate
CID 173005468
beryllium;boric acid;hydride;hydrofluoride
CID 173096580
sodium;boric acid;hydride;pentahydrate
CID 173005449
boric acid;pentahydrate
CID 139908945
disodium;boric acid;hydride
CID 173442706
azane;boric acid;hydrate
CID 172814433
CID 173048509
CID 173048509
dopentacontalithium;boric acid;hydride
CID 173414806
barium(2+);boric acid;oxygen(2-)
CID 22406411
azane;boric acid;tetrahydrate
CID 172699009
boric acid;zinc;dihydrate
CID 173216285

Frequently Asked Questions

What is the IUPAC name of beryllium;barium(2+);boric acid;hydride;hydrate?
The IUPAC name of beryllium;barium(2+);boric acid;hydride;hydrate (CID 174321791) is beryllium;barium(2+);boric acid;hydride;hydrate.
What is the SMILES notation for beryllium;barium(2+);boric acid;hydride;hydrate?
The canonical SMILES for beryllium;barium(2+);boric acid;hydride;hydrate is O.OB(O)O.[Ba+2].[Be+2].[H-].[H-].[H-].[H-].
What is the InChIKey of beryllium;barium(2+);boric acid;hydride;hydrate?
The InChIKey is KUULXFJXOZYDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3O3.Ba.Be.H2O.4H/c2-1(3)4;;;;;;;/h2-4H;;;1H2;;;;/q;2*+2;;4*-1.
What are the key properties of beryllium;barium(2+);boric acid;hydride;hydrate?
beryllium;barium(2+);boric acid;hydride;hydrate has a molecular weight of 230.22 g/mol, XLogP of -3.19, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium;barium(2+);boric acid;hydride;hydrate is sourced from PubChem (CID 174321791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).