gallium triformate

C3H3GaO6 — CID 23199529

IUPACgallium triformate
SMILESO=C[O-].O=C[O-].O=C[O-].[Ga+3]
InChIInChI=1S/3CH2O2.Ga/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+3/p-3
InChIKeyTWAADXOMARUDIJ-UHFFFAOYSA-K
MW204.77 g/mol
LogP-5.28
Rot. Bonds

About gallium triformate

gallium triformate (PubChem CID 23199529) has the molecular formula C3H3GaO6 and a molecular weight of 204.77 g/mol. Its IUPAC name is gallium triformate.

Molecular Properties

Compound Namegallium triformate
PubChem CID23199529
Molecular FormulaC3H3GaO6
Molecular Weight204.77 g/mol
Exact Mass203.92
IUPAC Namegallium triformate
SMILESO=C[O-].O=C[O-].O=C[O-].[Ga+3]
InChIInChI=1S/3CH2O2.Ga/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+3/p-3
InChIKeyTWAADXOMARUDIJ-UHFFFAOYSA-K
XLogP-5.28
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.77
LogP ≤ 5-5.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of gallium triformate?
The IUPAC name of gallium triformate (CID 23199529) is gallium triformate.
What is the SMILES notation for gallium triformate?
The canonical SMILES for gallium triformate is O=C[O-].O=C[O-].O=C[O-].[Ga+3].
What is the InChIKey of gallium triformate?
The InChIKey is TWAADXOMARUDIJ-UHFFFAOYSA-K. The full InChI is InChI=1S/3CH2O2.Ga/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+3/p-3.
What are the key properties of gallium triformate?
gallium triformate has a molecular weight of 204.77 g/mol, XLogP of -5.28, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for gallium triformate is sourced from PubChem (CID 23199529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).