aluminum oxido hydrogen carbonate

CHAlO4+2 — CID 54682965

IUPACaluminum oxido hydrogen carbonate
SMILESO=C(O)O[O-].[Al+3]
InChIInChI=1S/CH2O4.Al/c2-1(3)5-4;/h4H,(H,2,3);/q;+3/p-1
InChIKeyKHIQDVGLEFFNDH-UHFFFAOYSA-M
MW104.00 g/mol
LogP-1.42
Rot. Bonds

About aluminum oxido hydrogen carbonate

aluminum oxido hydrogen carbonate (PubChem CID 54682965) has the molecular formula CHAlO4+2 and a molecular weight of 104.00 g/mol. Its IUPAC name is aluminum oxido hydrogen carbonate.

Molecular Properties

Compound Namealuminum oxido hydrogen carbonate
PubChem CID54682965
Molecular FormulaCHAlO4+2
Molecular Weight104.00 g/mol
Exact Mass103.97
IUPAC Namealuminum oxido hydrogen carbonate
SMILESO=C(O)O[O-].[Al+3]
InChIInChI=1S/CH2O4.Al/c2-1(3)5-4;/h4H,(H,2,3);/q;+3/p-1
InChIKeyKHIQDVGLEFFNDH-UHFFFAOYSA-M
XLogP-1.42
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.00
LogP ≤ 5-1.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

cerium(3+);oxido hydrogen carbonate
CID 54723990
strontium oxido hydrogen carbonate
CID 174737263
lanthanum(3+);oxido hydrogen carbonate
CID 54687071
cerium(3+);oxido hydrogen carbonate
CID 159722511
magnesium;iron(3+);oxido hydrogen carbonate
CID 173050087
cobalt(2+);oxido hydrogen carbonate;hydrate
CID 175469845
bis(lanthanum(3+));oxido hydrogen carbonate;carbonate
CID 159767634
diazanium;oxido carbonate
CID 22665386
carbonic acid;ruthenium
CID 87059075
aluminum;hydrogen carbonate;oxygen(2-)
CID 90004700
dioxouranium(2+);oxido carbonate
CID 173079564
CID 87206652
CID 87206652

Frequently Asked Questions

What is the IUPAC name of aluminum oxido hydrogen carbonate?
The IUPAC name of aluminum oxido hydrogen carbonate (CID 54682965) is aluminum oxido hydrogen carbonate.
What is the SMILES notation for aluminum oxido hydrogen carbonate?
The canonical SMILES for aluminum oxido hydrogen carbonate is O=C(O)O[O-].[Al+3].
What is the InChIKey of aluminum oxido hydrogen carbonate?
The InChIKey is KHIQDVGLEFFNDH-UHFFFAOYSA-M. The full InChI is InChI=1S/CH2O4.Al/c2-1(3)5-4;/h4H,(H,2,3);/q;+3/p-1.
What are the key properties of aluminum oxido hydrogen carbonate?
aluminum oxido hydrogen carbonate has a molecular weight of 104.00 g/mol, XLogP of -1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum oxido hydrogen carbonate is sourced from PubChem (CID 54682965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).