carbon monoxide;cobalt;bis(cobalt(3+));deuterium monohydride;methanone

C9H8Co3O9 — CID 161451542

IUPACcarbon monoxide;cobalt;bis(cobalt(3+));deuterium monohydride;methanone
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Co+3].[Co+3].[Co].[H][2H]
InChIInChI=1S/6CHO.3CO.3Co.H2/c9*1-2;;;;/h6*1H;;;;;;;1H/q6*-1;;;;;2*+3;/i;;;;;;;;;;;;1+1
InChIKeySZLPATUTOHCTFS-MBDJGAHPSA-N
MW437.96 g/mol
LogP-1.52
Rot. Bonds

About carbon monoxide;cobalt;bis(cobalt(3+));deuterium monohydride;methanone

carbon monoxide;cobalt;bis(cobalt(3+));deuterium monohydride;methanone (PubChem CID 161451542) has the molecular formula C9H8Co3O9 and a molecular weight of 437.96 g/mol. Its IUPAC name is carbon monoxide;cobalt;bis(cobalt(3+));deuterium monohydride;methanone.

Molecular Properties

Compound Namecarbon monoxide;cobalt;bis(cobalt(3+));deuterium monohydride;methanone
PubChem CID161451542
Molecular FormulaC9H8Co3O9
Molecular Weight437.96 g/mol
Exact Mass437.82
IUPAC Namecarbon monoxide;cobalt;bis(cobalt(3+));deuterium monohydride;methanone
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Co+3].[Co+3].[Co].[H][2H]
InChIInChI=1S/6CHO.3CO.3Co.H2/c9*1-2;;;;/h6*1H;;;;;;;1H/q6*-1;;;;;2*+3;/i;;;;;;;;;;;;1+1
InChIKeySZLPATUTOHCTFS-MBDJGAHPSA-N
XLogP-1.52
TPSA162.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.96
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze carbon monoxide;cobalt;bis(cobalt(3+));deuterium monohydride;methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt;bis(cobalt(3+));deuterium monohydride;methanone?
The IUPAC name of carbon monoxide;cobalt;bis(cobalt(3+));deuterium monohydride;methanone (CID 161451542) is carbon monoxide;cobalt;bis(cobalt(3+));deuterium monohydride;methanone.
What is the SMILES notation for carbon monoxide;cobalt;bis(cobalt(3+));deuterium monohydride;methanone?
The canonical SMILES for carbon monoxide;cobalt;bis(cobalt(3+));deuterium monohydride;methanone is [C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Co+3].[Co+3].[Co].[H][2H].
What is the InChIKey of carbon monoxide;cobalt;bis(cobalt(3+));deuterium monohydride;methanone?
The InChIKey is SZLPATUTOHCTFS-MBDJGAHPSA-N. The full InChI is InChI=1S/6CHO.3CO.3Co.H2/c9*1-2;;;;/h6*1H;;;;;;;1H/q6*-1;;;;;2*+3;/i;;;;;;;;;;;;1+1.
What are the key properties of carbon monoxide;cobalt;bis(cobalt(3+));deuterium monohydride;methanone?
carbon monoxide;cobalt;bis(cobalt(3+));deuterium monohydride;methanone has a molecular weight of 437.96 g/mol, XLogP of -1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cobalt;bis(cobalt(3+));deuterium monohydride;methanone is sourced from PubChem (CID 161451542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).