calcium;barium(2+);hydride;oxalic acid

C2H6BaCaO4 — CID 174906012

IUPACcalcium;barium(2+);hydride;oxalic acid
SMILESO=C(O)C(=O)O.[Ba+2].[Ca+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/C2H2O4.Ba.Ca.4H/c3-1(4)2(5)6;;;;;;/h(H,3,4)(H,5,6);;;;;;/q;2*+2;4*-1
InChIKeyCWCYDFBLRKEOFO-UHFFFAOYSA-N
MW271.47 g/mol
LogP-1.16
Rot. Bonds

About calcium;barium(2+);hydride;oxalic acid

calcium;barium(2+);hydride;oxalic acid (PubChem CID 174906012) has the molecular formula C2H6BaCaO4 and a molecular weight of 271.47 g/mol. Its IUPAC name is calcium;barium(2+);hydride;oxalic acid.

Molecular Properties

Compound Namecalcium;barium(2+);hydride;oxalic acid
PubChem CID174906012
Molecular FormulaC2H6BaCaO4
Molecular Weight271.47 g/mol
Exact Mass271.89
IUPAC Namecalcium;barium(2+);hydride;oxalic acid
SMILESO=C(O)C(=O)O.[Ba+2].[Ca+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/C2H2O4.Ba.Ca.4H/c3-1(4)2(5)6;;;;;;/h(H,3,4)(H,5,6);;;;;;/q;2*+2;4*-1
InChIKeyCWCYDFBLRKEOFO-UHFFFAOYSA-N
XLogP-1.16
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetrapotassium;hydride;oxalic acid;dihydrate
CID 175013375
sodium;carbonic acid;hydride;oxalic acid
CID 175474397
strontium;hydride;oxalic acid;titanium
CID 173257716
potassium;hydride;niobium;oxalic acid
CID 175228480
sodium;hydride;oxalic acid;zirconium
CID 173001749
potassium;hydride;oxalic acid;tetrahydrochloride
CID 173258127
bis(barium(2+));hydride;oxalic acid;phosphoric acid
CID 173360168
oxalic acid;thorium
CID 25199595
magnesium oxalic acid
CID 54611841
oxalic acid;trihydrochloride
CID 140553783
oxalic acid;hydrochloride
CID 173369286
tricalcium;carbonic acid;hydride
CID 173419808

Frequently Asked Questions

What is the IUPAC name of calcium;barium(2+);hydride;oxalic acid?
The IUPAC name of calcium;barium(2+);hydride;oxalic acid (CID 174906012) is calcium;barium(2+);hydride;oxalic acid.
What is the SMILES notation for calcium;barium(2+);hydride;oxalic acid?
The canonical SMILES for calcium;barium(2+);hydride;oxalic acid is O=C(O)C(=O)O.[Ba+2].[Ca+2].[H-].[H-].[H-].[H-].
What is the InChIKey of calcium;barium(2+);hydride;oxalic acid?
The InChIKey is CWCYDFBLRKEOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.Ba.Ca.4H/c3-1(4)2(5)6;;;;;;/h(H,3,4)(H,5,6);;;;;;/q;2*+2;4*-1.
What are the key properties of calcium;barium(2+);hydride;oxalic acid?
calcium;barium(2+);hydride;oxalic acid has a molecular weight of 271.47 g/mol, XLogP of -1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;barium(2+);hydride;oxalic acid is sourced from PubChem (CID 174906012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).