calcium;zinc;oxalate

C4CaO8Zn — CID 174638991

IUPACcalcium;zinc;oxalate
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Ca+2].[Zn+2]
InChIInChI=1S/2C2H2O4.Ca.Zn/c2*3-1(4)2(5)6;;/h2*(H,3,4)(H,5,6);;/q;;2*+2/p-4
InChIKeyIRXQTMOQLWEDQS-UHFFFAOYSA-J
MW281.50 g/mol
LogP-7.41
Rot. Bonds

About calcium;zinc;oxalate

calcium;zinc;oxalate (PubChem CID 174638991) has the molecular formula C4CaO8Zn and a molecular weight of 281.50 g/mol. Its IUPAC name is calcium;zinc;oxalate.

Molecular Properties

Compound Namecalcium;zinc;oxalate
PubChem CID174638991
Molecular FormulaC4CaO8Zn
Molecular Weight281.50 g/mol
Exact Mass279.85
IUPAC Namecalcium;zinc;oxalate
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Ca+2].[Zn+2]
InChIInChI=1S/2C2H2O4.Ca.Zn/c2*3-1(4)2(5)6;;/h2*(H,3,4)(H,5,6);;/q;;2*+2/p-4
InChIKeyIRXQTMOQLWEDQS-UHFFFAOYSA-J
XLogP-7.41
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.50
LogP ≤ 5-7.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

dipotassium;zinc;oxalate
CID 173075091
dizinc;oxalate;hydrate
CID 175884048
dicalcium;oxalate;oxygen(2-)
CID 172811671
aluminum;calcium;oxalate
CID 172855033
zinc;oxalate;hexahydrate
CID 175037581
zinc;oxalate;dihydrate
CID 516787
iron(3+);oxalate
CID 165359506
chromium(6+);oxalate
CID 138397959
cerium;oxalate
CID 8762
cesium oxalate
CID 53436195
diazanium;oxalate
CID 14213
oxalate;silicon(4+)
CID 19840044

Frequently Asked Questions

What is the IUPAC name of calcium;zinc;oxalate?
The IUPAC name of calcium;zinc;oxalate (CID 174638991) is calcium;zinc;oxalate.
What is the SMILES notation for calcium;zinc;oxalate?
The canonical SMILES for calcium;zinc;oxalate is O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Ca+2].[Zn+2].
What is the InChIKey of calcium;zinc;oxalate?
The InChIKey is IRXQTMOQLWEDQS-UHFFFAOYSA-J. The full InChI is InChI=1S/2C2H2O4.Ca.Zn/c2*3-1(4)2(5)6;;/h2*(H,3,4)(H,5,6);;/q;;2*+2/p-4.
What are the key properties of calcium;zinc;oxalate?
calcium;zinc;oxalate has a molecular weight of 281.50 g/mol, XLogP of -7.41, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;zinc;oxalate is sourced from PubChem (CID 174638991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).