Bis(formato-kappaO)hydroxyaluminum

C2H4AlO5 — CID 16684091

IUPAC—
SMILESO.O=CO[Al]OC=O
InChIInChI=1S/2CH2O2.Al.H2O/c2*2-1-3;;/h2*1H,(H,2,3);;1H2/q;;+2;/p-2
InChIKeyNJSTXPGXDURZQP-UHFFFAOYSA-L
MW135.03 g/mol
LogP-1.96
Rot. Bonds4

About Bis(formato-kappaO)hydroxyaluminum

Bis(formato-kappaO)hydroxyaluminum (PubChem CID 16684091) has the molecular formula C2H4AlO5 and a molecular weight of 135.03 g/mol.

Molecular Properties

Compound NameBis(formato-kappaO)hydroxyaluminum
PubChem CID16684091
Molecular FormulaC2H4AlO5
Molecular Weight135.03 g/mol
Exact Mass134.99
IUPAC Name—
SMILESO.O=CO[Al]OC=O
InChIInChI=1S/2CH2O2.Al.H2O/c2*2-1-3;;/h2*1H,(H,2,3);;1H2/q;;+2;/p-2
InChIKeyNJSTXPGXDURZQP-UHFFFAOYSA-L
XLogP-1.96
TPSA84.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.03
LogP ≤ 5-1.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Bis(formato-kappaO)hydroxyaluminum?
The IUPAC name of Bis(formato-kappaO)hydroxyaluminum (CID 16684091) is not available.
What is the SMILES notation for Bis(formato-kappaO)hydroxyaluminum?
The canonical SMILES for Bis(formato-kappaO)hydroxyaluminum is O.O=CO[Al]OC=O.
What is the InChIKey of Bis(formato-kappaO)hydroxyaluminum?
The InChIKey is NJSTXPGXDURZQP-UHFFFAOYSA-L. The full InChI is InChI=1S/2CH2O2.Al.H2O/c2*2-1-3;;/h2*1H,(H,2,3);;1H2/q;;+2;/p-2.
What are the key properties of Bis(formato-kappaO)hydroxyaluminum?
Bis(formato-kappaO)hydroxyaluminum has a molecular weight of 135.03 g/mol, XLogP of -1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Bis(formato-kappaO)hydroxyaluminum is sourced from PubChem (CID 16684091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).