lithium;barium(2+);oxalic acid;borate

C2H2BBaLiO7 — CID 159665648

IUPAClithium;barium(2+);oxalic acid;borate
SMILESO=C(O)C(=O)O.[Ba+2].[Li+].[O-]B([O-])[O-]
InChIInChI=1S/C2H2O4.BO3.Ba.Li/c3-1(4)2(5)6;2-1(3)4;;/h(H,3,4)(H,5,6);;;/q;-3;+2;+1
InChIKeyAWCQQQBDIXYQCX-UHFFFAOYSA-N
MW293.11 g/mol
LogP-8.17
Rot. Bonds

About lithium;barium(2+);oxalic acid;borate

lithium;barium(2+);oxalic acid;borate (PubChem CID 159665648) has the molecular formula C2H2BBaLiO7 and a molecular weight of 293.11 g/mol. Its IUPAC name is lithium;barium(2+);oxalic acid;borate.

Molecular Properties

Compound Namelithium;barium(2+);oxalic acid;borate
PubChem CID159665648
Molecular FormulaC2H2BBaLiO7
Molecular Weight293.11 g/mol
Exact Mass293.91
IUPAC Namelithium;barium(2+);oxalic acid;borate
SMILESO=C(O)C(=O)O.[Ba+2].[Li+].[O-]B([O-])[O-]
InChIInChI=1S/C2H2O4.BO3.Ba.Li/c3-1(4)2(5)6;2-1(3)4;;/h(H,3,4)(H,5,6);;;/q;-3;+2;+1
InChIKeyAWCQQQBDIXYQCX-UHFFFAOYSA-N
XLogP-8.17
TPSA143.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 5-8.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 174747516
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lithium;oxalic acid;chloride
CID 175547992
lithium;2-hydroxy-2-oxoacetate;oxalic acid
CID 158730065
trilithium;oxalic acid;tris(2,3,3,3-tetrafluoropropanoic acid);borate
CID 173154493
calcium;barium(2+);hydride;oxalic acid
CID 174906012
trilithium;oxalyl dibromide;borate
CID 159603330
nickel(2+);oxalic acid;sulfate
CID 159586152
trilithium;oxalyl difluoride;borate
CID 160974427
azane;difluoroborinic acid;oxalic acid
CID 175525929
dodecasodium;acetic acid;tetraborate
CID 157209922

Frequently Asked Questions

What is the IUPAC name of lithium;barium(2+);oxalic acid;borate?
The IUPAC name of lithium;barium(2+);oxalic acid;borate (CID 159665648) is lithium;barium(2+);oxalic acid;borate.
What is the SMILES notation for lithium;barium(2+);oxalic acid;borate?
The canonical SMILES for lithium;barium(2+);oxalic acid;borate is O=C(O)C(=O)O.[Ba+2].[Li+].[O-]B([O-])[O-].
What is the InChIKey of lithium;barium(2+);oxalic acid;borate?
The InChIKey is AWCQQQBDIXYQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.BO3.Ba.Li/c3-1(4)2(5)6;2-1(3)4;;/h(H,3,4)(H,5,6);;;/q;-3;+2;+1.
What are the key properties of lithium;barium(2+);oxalic acid;borate?
lithium;barium(2+);oxalic acid;borate has a molecular weight of 293.11 g/mol, XLogP of -8.17, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;barium(2+);oxalic acid;borate is sourced from PubChem (CID 159665648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).