carbon monoxide;cobalt;cobalt(2+);methanone

C12H3Co4O12- — CID 155885006

IUPACcarbon monoxide;cobalt;cobalt(2+);methanone
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]=O.[CH-]=O.[CH-]=O.[Co+2].[Co].[Co].[Co]
InChIInChI=1S/3CHO.9CO.4Co/c12*1-2;;;;/h3*1H;;;;;;;;;;;;;/q3*-1;;;;;;;;;;;;;+2
InChIKeyXIEHNGGRCOWMOU-UHFFFAOYSA-N
MW574.88 g/mol
LogP-1.17
Rot. Bonds

About carbon monoxide;cobalt;cobalt(2+);methanone

carbon monoxide;cobalt;cobalt(2+);methanone (PubChem CID 155885006) has the molecular formula C12H3Co4O12- and a molecular weight of 574.88 g/mol. Its IUPAC name is carbon monoxide;cobalt;cobalt(2+);methanone.

Molecular Properties

Compound Namecarbon monoxide;cobalt;cobalt(2+);methanone
PubChem CID155885006
Molecular FormulaC12H3Co4O12-
Molecular Weight574.88 g/mol
Exact Mass574.70
IUPAC Namecarbon monoxide;cobalt;cobalt(2+);methanone
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]=O.[CH-]=O.[CH-]=O.[Co+2].[Co].[Co].[Co]
InChIInChI=1S/3CHO.9CO.4Co/c12*1-2;;;;/h3*1H;;;;;;;;;;;;;/q3*-1;;;;;;;;;;;;;+2
InChIKeyXIEHNGGRCOWMOU-UHFFFAOYSA-N
XLogP-1.17
TPSA230.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.88
LogP ≤ 5-1.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt;cobalt(2+);methanone?
The IUPAC name of carbon monoxide;cobalt;cobalt(2+);methanone (CID 155885006) is carbon monoxide;cobalt;cobalt(2+);methanone.
What is the SMILES notation for carbon monoxide;cobalt;cobalt(2+);methanone?
The canonical SMILES for carbon monoxide;cobalt;cobalt(2+);methanone is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]=O.[CH-]=O.[CH-]=O.[Co+2].[Co].[Co].[Co].
What is the InChIKey of carbon monoxide;cobalt;cobalt(2+);methanone?
The InChIKey is XIEHNGGRCOWMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/3CHO.9CO.4Co/c12*1-2;;;;/h3*1H;;;;;;;;;;;;;/q3*-1;;;;;;;;;;;;;+2.
What are the key properties of carbon monoxide;cobalt;cobalt(2+);methanone?
carbon monoxide;cobalt;cobalt(2+);methanone has a molecular weight of 574.88 g/mol, XLogP of -1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cobalt;cobalt(2+);methanone is sourced from PubChem (CID 155885006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).