aluminum;formic acid;triformate

C4H5AlO8 — CID 161151141

IUPACaluminum;formic acid;triformate
SMILESO=CO.O=C[O-].O=C[O-].O=C[O-].[Al+3]
InChIInChI=1S/4CH2O2.Al/c4*2-1-3;/h4*1H,(H,2,3);/q;;;;+3/p-3
InChIKeyUORRJMQLOTVPGY-UHFFFAOYSA-K
MW208.06 g/mol
LogP-5.58
Rot. Bonds

About aluminum;formic acid;triformate

aluminum;formic acid;triformate (PubChem CID 161151141) has the molecular formula C4H5AlO8 and a molecular weight of 208.06 g/mol. Its IUPAC name is aluminum;formic acid;triformate.

Molecular Properties

Compound Namealuminum;formic acid;triformate
PubChem CID161151141
Molecular FormulaC4H5AlO8
Molecular Weight208.06 g/mol
Exact Mass207.98
IUPAC Namealuminum;formic acid;triformate
SMILESO=CO.O=C[O-].O=C[O-].O=C[O-].[Al+3]
InChIInChI=1S/4CH2O2.Al/c4*2-1-3;/h4*1H,(H,2,3);/q;;;;+3/p-3
InChIKeyUORRJMQLOTVPGY-UHFFFAOYSA-K
XLogP-5.58
TPSA157.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.06
LogP ≤ 5-5.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze aluminum;formic acid;triformate 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 aluminum;formic acid;triformate?
The IUPAC name of aluminum;formic acid;triformate (CID 161151141) is aluminum;formic acid;triformate.
What is the SMILES notation for aluminum;formic acid;triformate?
The canonical SMILES for aluminum;formic acid;triformate is O=CO.O=C[O-].O=C[O-].O=C[O-].[Al+3].
What is the InChIKey of aluminum;formic acid;triformate?
The InChIKey is UORRJMQLOTVPGY-UHFFFAOYSA-K. The full InChI is InChI=1S/4CH2O2.Al/c4*2-1-3;/h4*1H,(H,2,3);/q;;;;+3/p-3.
What are the key properties of aluminum;formic acid;triformate?
aluminum;formic acid;triformate has a molecular weight of 208.06 g/mol, XLogP of -5.58, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;formic acid;triformate is sourced from PubChem (CID 161151141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).