zinc;barium(2+);hydride;diacetate

C4H8BaO4Zn — CID 173417196

IUPACzinc;barium(2+);hydride;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[Ba+2].[H-].[H-].[Zn+2]
InChIInChI=1S/2C2H4O2.Ba.Zn.2H/c2*1-2(3)4;;;;/h2*1H3,(H,3,4);;;;/q;;2*+2;2*-1/p-2
InChIKeyOHMLNMJGWLYKCG-UHFFFAOYSA-L
MW322.82 g/mol
LogP-2.65
Rot. Bonds

About zinc;barium(2+);hydride;diacetate

zinc;barium(2+);hydride;diacetate (PubChem CID 173417196) has the molecular formula C4H8BaO4Zn and a molecular weight of 322.82 g/mol. Its IUPAC name is zinc;barium(2+);hydride;diacetate.

Molecular Properties

Compound Namezinc;barium(2+);hydride;diacetate
PubChem CID173417196
Molecular FormulaC4H8BaO4Zn
Molecular Weight322.82 g/mol
Exact Mass321.88
IUPAC Namezinc;barium(2+);hydride;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[Ba+2].[H-].[H-].[Zn+2]
InChIInChI=1S/2C2H4O2.Ba.Zn.2H/c2*1-2(3)4;;;;/h2*1H3,(H,3,4);;;;/q;;2*+2;2*-1/p-2
InChIKeyOHMLNMJGWLYKCG-UHFFFAOYSA-L
XLogP-2.65
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 5-2.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tris(barium(2+)) diacetate
CID 19804496
zinc;diacetate;heptahydrate
CID 161319738
zinc;antimony(3+);acetate
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dizinc;tetraacetate;tetrahydrate
CID 175240044
zinc;palladium(2+);acetate;chloride
CID 23134840
CID 170997571
CID 170997571
nonasodium;nonaacetate
CID 173443222
zirconium acetate
CID 18596
uranium hexaacetate
CID 20541057
manganese(3+) diacetate
CID 159209977
CID 87243144
CID 87243144

Frequently Asked Questions

What is the IUPAC name of zinc;barium(2+);hydride;diacetate?
The IUPAC name of zinc;barium(2+);hydride;diacetate (CID 173417196) is zinc;barium(2+);hydride;diacetate.
What is the SMILES notation for zinc;barium(2+);hydride;diacetate?
The canonical SMILES for zinc;barium(2+);hydride;diacetate is CC(=O)[O-].CC(=O)[O-].[Ba+2].[H-].[H-].[Zn+2].
What is the InChIKey of zinc;barium(2+);hydride;diacetate?
The InChIKey is OHMLNMJGWLYKCG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H4O2.Ba.Zn.2H/c2*1-2(3)4;;;;/h2*1H3,(H,3,4);;;;/q;;2*+2;2*-1/p-2.
What are the key properties of zinc;barium(2+);hydride;diacetate?
zinc;barium(2+);hydride;diacetate has a molecular weight of 322.82 g/mol, XLogP of -2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;barium(2+);hydride;diacetate is sourced from PubChem (CID 173417196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).