barium(2+);boric acid;oxygen(2-)

H3BBaO4 — CID 22406411

IUPACbarium(2+);boric acid;oxygen(2-)
SMILESOB(O)O.[Ba+2].[O-2]
InChIInChI=1S/BH3O3.Ba.O/c2-1(3)4;;/h2-4H;;/q;+2;-2
InChIKeyWAGJRKAIKYNKLV-UHFFFAOYSA-N
MW215.16 g/mol
LogP-2.55
Rot. Bonds

About barium(2+);boric acid;oxygen(2-)

barium(2+);boric acid;oxygen(2-) (PubChem CID 22406411) has the molecular formula H3BBaO4 and a molecular weight of 215.16 g/mol. Its IUPAC name is barium(2+);boric acid;oxygen(2-).

Molecular Properties

Compound Namebarium(2+);boric acid;oxygen(2-)
PubChem CID22406411
Molecular FormulaH3BBaO4
Molecular Weight215.16 g/mol
Exact Mass215.92
IUPAC Namebarium(2+);boric acid;oxygen(2-)
SMILESOB(O)O.[Ba+2].[O-2]
InChIInChI=1S/BH3O3.Ba.O/c2-1(3)4;;/h2-4H;;/q;+2;-2
InChIKeyWAGJRKAIKYNKLV-UHFFFAOYSA-N
XLogP-2.55
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 5-2.55
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

boric acid
CID 173080807
trimagnesium;boric acid;oxygen(2-);tetrahydrate
CID 173077053
CID 173113715
CID 173113715
boric acid;gold
CID 57461570
boric acid;sulfane
CID 173015947
CID 175866871
CID 175866871
boric acid;dihydrochloride
CID 159252870
boric acid;scandium
CID 173028800
CID 57450941
CID 57450941
boric acid;copper
CID 173032296
CID 57449281
CID 57449281
boric acid;pentahydrate
CID 139908945

Frequently Asked Questions

What is the IUPAC name of barium(2+);boric acid;oxygen(2-)?
The IUPAC name of barium(2+);boric acid;oxygen(2-) (CID 22406411) is barium(2+);boric acid;oxygen(2-).
What is the SMILES notation for barium(2+);boric acid;oxygen(2-)?
The canonical SMILES for barium(2+);boric acid;oxygen(2-) is OB(O)O.[Ba+2].[O-2].
What is the InChIKey of barium(2+);boric acid;oxygen(2-)?
The InChIKey is WAGJRKAIKYNKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3O3.Ba.O/c2-1(3)4;;/h2-4H;;/q;+2;-2.
What are the key properties of barium(2+);boric acid;oxygen(2-)?
barium(2+);boric acid;oxygen(2-) has a molecular weight of 215.16 g/mol, XLogP of -2.55, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);boric acid;oxygen(2-) is sourced from PubChem (CID 22406411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).