cobalt;2-oxopropanedioic acid

C3H2CoO5 — CID 174542323

IUPACcobalt;2-oxopropanedioic acid
SMILESO=C(O)C(=O)C(=O)O.[Co]
InChIInChI=1S/C3H2O5.Co/c4-1(2(5)6)3(7)8;/h(H,5,6)(H,7,8);
InChIKeyBEZJUCZMJDESJN-UHFFFAOYSA-N
MW176.98 g/mol
LogP-1.28
Rot. Bonds2

About cobalt;2-oxopropanedioic acid

cobalt;2-oxopropanedioic acid (PubChem CID 174542323) has the molecular formula C3H2CoO5 and a molecular weight of 176.98 g/mol. Its IUPAC name is cobalt;2-oxopropanedioic acid.

Molecular Properties

Compound Namecobalt;2-oxopropanedioic acid
PubChem CID174542323
Molecular FormulaC3H2CoO5
Molecular Weight176.98 g/mol
Exact Mass176.92
IUPAC Namecobalt;2-oxopropanedioic acid
SMILESO=C(O)C(=O)C(=O)O.[Co]
InChIInChI=1S/C3H2O5.Co/c4-1(2(5)6)3(7)8;/h(H,5,6)(H,7,8);
InChIKeyBEZJUCZMJDESJN-UHFFFAOYSA-N
XLogP-1.28
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.98
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

magnesium;hydride;2-oxopropanedioic acid
CID 174763054
beryllium;hydride;2-oxopropanedioic acid
CID 174837448
cerium;lanthanum;2-oxopropanedioic acid
CID 175276289
azane;azanide;cobalt;oxalic acid
CID 50897270
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CID 174988732
magnesium oxalic acid
CID 54611841
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CID 140553783
californium;oxalic acid
CID 87427078
magnesium;carbonic acid;dibromide
CID 175416809
oxalic acid;hydrochloride
CID 173369286
oxalic acid;thorium
CID 25199595
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CID 90472147

Frequently Asked Questions

What is the IUPAC name of cobalt;2-oxopropanedioic acid?
The IUPAC name of cobalt;2-oxopropanedioic acid (CID 174542323) is cobalt;2-oxopropanedioic acid.
What is the SMILES notation for cobalt;2-oxopropanedioic acid?
The canonical SMILES for cobalt;2-oxopropanedioic acid is O=C(O)C(=O)C(=O)O.[Co].
What is the InChIKey of cobalt;2-oxopropanedioic acid?
The InChIKey is BEZJUCZMJDESJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2O5.Co/c4-1(2(5)6)3(7)8;/h(H,5,6)(H,7,8);.
What are the key properties of cobalt;2-oxopropanedioic acid?
cobalt;2-oxopropanedioic acid has a molecular weight of 176.98 g/mol, XLogP of -1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2-oxopropanedioic acid is sourced from PubChem (CID 174542323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).