cobalt(2+);oxalic acid;diacetate

C6H8CoO8 — CID 158634462

IUPACcobalt(2+);oxalic acid;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].O=C(O)C(=O)O.[Co+2]
InChIInChI=1S/C2H2O4.2C2H4O2.Co/c3-1(4)2(5)6;2*1-2(3)4;/h(H,3,4)(H,5,6);2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyHZPHKJYUTRJZSH-UHFFFAOYSA-L
MW267.05 g/mol
LogP-3.33
Rot. Bonds

About cobalt(2+);oxalic acid;diacetate

cobalt(2+);oxalic acid;diacetate (PubChem CID 158634462) has the molecular formula C6H8CoO8 and a molecular weight of 267.05 g/mol. Its IUPAC name is cobalt(2+);oxalic acid;diacetate.

Molecular Properties

Compound Namecobalt(2+);oxalic acid;diacetate
PubChem CID158634462
Molecular FormulaC6H8CoO8
Molecular Weight267.05 g/mol
Exact Mass266.96
IUPAC Namecobalt(2+);oxalic acid;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].O=C(O)C(=O)O.[Co+2]
InChIInChI=1S/C2H2O4.2C2H4O2.Co/c3-1(4)2(5)6;2*1-2(3)4;/h(H,3,4)(H,5,6);2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyHZPHKJYUTRJZSH-UHFFFAOYSA-L
XLogP-3.33
TPSA154.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.05
LogP ≤ 5-3.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(cobalt(2+));tetraacetate
CID 157121376
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CID 173373798
cobalt(2+);acetate;hexahydrate
CID 21479533
acetic acid;yttrium(3+);triacetate
CID 175880904
disodium;acetic acid;diacetate
CID 173429672
calcium;hydrogen carbonate;acetate
CID 138401342
dipotassium;acetic acid;diacetate
CID 158588749
cesium;acetic acid;acetate
CID 175712747
tetrasodium;acetic acid;tetraacetate
CID 175423347
acetic acid;iron(3+);triacetate
CID 175778067
sodium;acetic acid;acetate
CID 173223990
acetic acid;nickel(2+);diacetate
CID 159615318

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);oxalic acid;diacetate?
The IUPAC name of cobalt(2+);oxalic acid;diacetate (CID 158634462) is cobalt(2+);oxalic acid;diacetate.
What is the SMILES notation for cobalt(2+);oxalic acid;diacetate?
The canonical SMILES for cobalt(2+);oxalic acid;diacetate is CC(=O)[O-].CC(=O)[O-].O=C(O)C(=O)O.[Co+2].
What is the InChIKey of cobalt(2+);oxalic acid;diacetate?
The InChIKey is HZPHKJYUTRJZSH-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2O4.2C2H4O2.Co/c3-1(4)2(5)6;2*1-2(3)4;/h(H,3,4)(H,5,6);2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of cobalt(2+);oxalic acid;diacetate?
cobalt(2+);oxalic acid;diacetate has a molecular weight of 267.05 g/mol, XLogP of -3.33, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);oxalic acid;diacetate is sourced from PubChem (CID 158634462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).