tripotassium;chromium(3+);oxalate

C6CrK3O12 — CID 131873613

IUPACtripotassium;chromium(3+);oxalate
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Cr+3].[K+].[K+].[K+]
InChIInChI=1S/3C2H2O4.Cr.3K/c3*3-1(4)2(5)6;;;;/h3*(H,3,4)(H,5,6);;;;/q;;;+3;3*+1/p-6
InChIKeyGPRSKVBHOMRGMO-UHFFFAOYSA-H
MW433.34 g/mol
LogP-19.53
Rot. Bonds

About tripotassium;chromium(3+);oxalate

tripotassium;chromium(3+);oxalate (PubChem CID 131873613) has the molecular formula C6CrK3O12 and a molecular weight of 433.34 g/mol. Its IUPAC name is tripotassium;chromium(3+);oxalate.

Molecular Properties

Compound Nametripotassium;chromium(3+);oxalate
PubChem CID131873613
Molecular FormulaC6CrK3O12
Molecular Weight433.34 g/mol
Exact Mass432.77
IUPAC Nametripotassium;chromium(3+);oxalate
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Cr+3].[K+].[K+].[K+]
InChIInChI=1S/3C2H2O4.Cr.3K/c3*3-1(4)2(5)6;;;;/h3*(H,3,4)(H,5,6);;;;/q;;;+3;3*+1/p-6
InChIKeyGPRSKVBHOMRGMO-UHFFFAOYSA-H
XLogP-19.53
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.34
LogP ≤ 5-19.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tripotassium;chromium(3+);oxalate?
The IUPAC name of tripotassium;chromium(3+);oxalate (CID 131873613) is tripotassium;chromium(3+);oxalate.
What is the SMILES notation for tripotassium;chromium(3+);oxalate?
The canonical SMILES for tripotassium;chromium(3+);oxalate is O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Cr+3].[K+].[K+].[K+].
What is the InChIKey of tripotassium;chromium(3+);oxalate?
The InChIKey is GPRSKVBHOMRGMO-UHFFFAOYSA-H. The full InChI is InChI=1S/3C2H2O4.Cr.3K/c3*3-1(4)2(5)6;;;;/h3*(H,3,4)(H,5,6);;;;/q;;;+3;3*+1/p-6.
What are the key properties of tripotassium;chromium(3+);oxalate?
tripotassium;chromium(3+);oxalate has a molecular weight of 433.34 g/mol, XLogP of -19.53, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;chromium(3+);oxalate is sourced from PubChem (CID 131873613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).