barium(2+);hydride;hydrogen peroxide;hydrate

H6BaO3 — CID 173344510

IUPACbarium(2+);hydride;hydrogen peroxide;hydrate
SMILESO.OO.[Ba+2].[H-].[H-]
InChIInChI=1S/Ba.H2O2.H2O.2H/c;1-2;;;/h;1-2H;1H2;;/q+2;;;2*-1
InChIKeyLYLCHZGUUIWOMW-UHFFFAOYSA-N
MW191.37 g/mol
LogP-0.96
Rot. Bonds

About barium(2+);hydride;hydrogen peroxide;hydrate

barium(2+);hydride;hydrogen peroxide;hydrate (PubChem CID 173344510) has the molecular formula H6BaO3 and a molecular weight of 191.37 g/mol. Its IUPAC name is barium(2+);hydride;hydrogen peroxide;hydrate.

Molecular Properties

Compound Namebarium(2+);hydride;hydrogen peroxide;hydrate
PubChem CID173344510
Molecular FormulaH6BaO3
Molecular Weight191.37 g/mol
Exact Mass191.94
IUPAC Namebarium(2+);hydride;hydrogen peroxide;hydrate
SMILESO.OO.[Ba+2].[H-].[H-]
InChIInChI=1S/Ba.H2O2.H2O.2H/c;1-2;;;/h;1-2H;1H2;;/q+2;;;2*-1
InChIKeyLYLCHZGUUIWOMW-UHFFFAOYSA-N
XLogP-0.96
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.37
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

bis(barium(2+));hydride;trihydrate
CID 175412188
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CID 173020398
barium(2+);hydride;dihydrate;hydrochloride
CID 173000878
hydrogen peroxide;uranium;dihydrate
CID 173422908
hydrogen peroxide
CID 21255768
hydrogen peroxide
CID 159255937
tris(barium(2+));hydride
CID 173368443
strontium;barium(2+);carbonic acid;hydride
CID 173330589
magnesium;carbonic acid;hydride;trihydrate
CID 173024872
beryllium;barium(2+);boric acid;hydride;hydrate
CID 174321791
dimagnesium;carbonic acid;hydride;tetrahydrate
CID 173193239
lithium;sodium;hydride;hydrogen peroxide
CID 173054127

Frequently Asked Questions

What is the IUPAC name of barium(2+);hydride;hydrogen peroxide;hydrate?
The IUPAC name of barium(2+);hydride;hydrogen peroxide;hydrate (CID 173344510) is barium(2+);hydride;hydrogen peroxide;hydrate.
What is the SMILES notation for barium(2+);hydride;hydrogen peroxide;hydrate?
The canonical SMILES for barium(2+);hydride;hydrogen peroxide;hydrate is O.OO.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);hydride;hydrogen peroxide;hydrate?
The InChIKey is LYLCHZGUUIWOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.H2O2.H2O.2H/c;1-2;;;/h;1-2H;1H2;;/q+2;;;2*-1.
What are the key properties of barium(2+);hydride;hydrogen peroxide;hydrate?
barium(2+);hydride;hydrogen peroxide;hydrate has a molecular weight of 191.37 g/mol, XLogP of -0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydride;hydrogen peroxide;hydrate is sourced from PubChem (CID 173344510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).