chromium(6+);oxalate

C6CrO12 — CID 138397959

IUPACchromium(6+);oxalate
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Cr+6]
InChIInChI=1S/3C2H2O4.Cr/c3*3-1(4)2(5)6;/h3*(H,3,4)(H,5,6);/q;;;+6/p-6
InChIKeyLCROEOZPEJIDHW-UHFFFAOYSA-H
MW316.05 g/mol
LogP-10.54
Rot. Bonds

About chromium(6+);oxalate

chromium(6+);oxalate (PubChem CID 138397959) has the molecular formula C6CrO12 and a molecular weight of 316.05 g/mol. Its IUPAC name is chromium(6+);oxalate.

Molecular Properties

Compound Namechromium(6+);oxalate
PubChem CID138397959
Molecular FormulaC6CrO12
Molecular Weight316.05 g/mol
Exact Mass315.88
IUPAC Namechromium(6+);oxalate
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Cr+6]
InChIInChI=1S/3C2H2O4.Cr/c3*3-1(4)2(5)6;/h3*(H,3,4)(H,5,6);/q;;;+6/p-6
InChIKeyLCROEOZPEJIDHW-UHFFFAOYSA-H
XLogP-10.54
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.05
LogP ≤ 5-10.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

oxalate;platinum(2+)
CID 22066175
cerium;oxalate
CID 8762
tetrapotassium;octakis(cadmium(2+));oxalate
CID 173357268
cesium oxalate
CID 53436195
oxalate;silicon(4+)
CID 19840044
diazanium;oxalate
CID 14213
oxalate;bis(ruthenium(3+))
CID 57371303
dipotassium;zinc;oxalate
CID 173075091
oxalate;rhodium(2+)
CID 22015935
tetraazanium oxalate
CID 22167731
iron(3+);oxalate
CID 165359506
oxalate;yttrium(3+)
CID 21124343

Frequently Asked Questions

What is the IUPAC name of chromium(6+);oxalate?
The IUPAC name of chromium(6+);oxalate (CID 138397959) is chromium(6+);oxalate.
What is the SMILES notation for chromium(6+);oxalate?
The canonical SMILES for chromium(6+);oxalate is O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Cr+6].
What is the InChIKey of chromium(6+);oxalate?
The InChIKey is LCROEOZPEJIDHW-UHFFFAOYSA-H. The full InChI is InChI=1S/3C2H2O4.Cr/c3*3-1(4)2(5)6;/h3*(H,3,4)(H,5,6);/q;;;+6/p-6.
What are the key properties of chromium(6+);oxalate?
chromium(6+);oxalate has a molecular weight of 316.05 g/mol, XLogP of -10.54, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(6+);oxalate is sourced from PubChem (CID 138397959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).