aluminum;hydrogen carbonate;oxygen(2-)

CHAlO4 — CID 90004700

IUPACaluminum;hydrogen carbonate;oxygen(2-)
SMILESO=C([O-])O.[Al+3].[O-2]
InChIInChI=1S/CH2O3.Al.O/c2-1(3)4;;/h(H2,2,3,4);;/q;+3;-2/p-1
InChIKeyUHHZBTHFJAJICO-UHFFFAOYSA-M
MW104.00 g/mol
LogP-1.61
Rot. Bonds

About aluminum;hydrogen carbonate;oxygen(2-)

aluminum;hydrogen carbonate;oxygen(2-) (PubChem CID 90004700) has the molecular formula CHAlO4 and a molecular weight of 104.00 g/mol. Its IUPAC name is aluminum;hydrogen carbonate;oxygen(2-).

Molecular Properties

Compound Namealuminum;hydrogen carbonate;oxygen(2-)
PubChem CID90004700
Molecular FormulaCHAlO4
Molecular Weight104.00 g/mol
Exact Mass103.97
IUPAC Namealuminum;hydrogen carbonate;oxygen(2-)
SMILESO=C([O-])O.[Al+3].[O-2]
InChIInChI=1S/CH2O3.Al.O/c2-1(3)4;;/h(H2,2,3,4);;/q;+3;-2/p-1
InChIKeyUHHZBTHFJAJICO-UHFFFAOYSA-M
XLogP-1.61
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.00
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of aluminum;hydrogen carbonate;oxygen(2-)?
The IUPAC name of aluminum;hydrogen carbonate;oxygen(2-) (CID 90004700) is aluminum;hydrogen carbonate;oxygen(2-).
What is the SMILES notation for aluminum;hydrogen carbonate;oxygen(2-)?
The canonical SMILES for aluminum;hydrogen carbonate;oxygen(2-) is O=C([O-])O.[Al+3].[O-2].
What is the InChIKey of aluminum;hydrogen carbonate;oxygen(2-)?
The InChIKey is UHHZBTHFJAJICO-UHFFFAOYSA-M. The full InChI is InChI=1S/CH2O3.Al.O/c2-1(3)4;;/h(H2,2,3,4);;/q;+3;-2/p-1.
What are the key properties of aluminum;hydrogen carbonate;oxygen(2-)?
aluminum;hydrogen carbonate;oxygen(2-) has a molecular weight of 104.00 g/mol, XLogP of -1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;hydrogen carbonate;oxygen(2-) is sourced from PubChem (CID 90004700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).