aluminum;hydrogen carbonate;hydroxylamine;carbonate

C2H4AlNO7 — CID 172718754

IUPACaluminum;hydrogen carbonate;hydroxylamine;carbonate
SMILESNO.O=C([O-])O.O=C([O-])[O-].[Al+3]
InChIInChI=1S/2CH2O3.Al.H3NO/c2*2-1(3)4;;1-2/h2*(H2,2,3,4);;2H,1H2/q;;+3;/p-3
InChIKeyGFFTXRIOCVWKDL-UHFFFAOYSA-K
MW181.04 g/mol
LogP-4.61
Rot. Bonds

About aluminum;hydrogen carbonate;hydroxylamine;carbonate

aluminum;hydrogen carbonate;hydroxylamine;carbonate (PubChem CID 172718754) has the molecular formula C2H4AlNO7 and a molecular weight of 181.04 g/mol. Its IUPAC name is aluminum;hydrogen carbonate;hydroxylamine;carbonate.

Molecular Properties

Compound Namealuminum;hydrogen carbonate;hydroxylamine;carbonate
PubChem CID172718754
Molecular FormulaC2H4AlNO7
Molecular Weight181.04 g/mol
Exact Mass180.98
IUPAC Namealuminum;hydrogen carbonate;hydroxylamine;carbonate
SMILESNO.O=C([O-])O.O=C([O-])[O-].[Al+3]
InChIInChI=1S/2CH2O3.Al.H3NO/c2*2-1(3)4;;1-2/h2*(H2,2,3,4);;2H,1H2/q;;+3;/p-3
InChIKeyGFFTXRIOCVWKDL-UHFFFAOYSA-K
XLogP-4.61
TPSA169.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.04
LogP ≤ 5-4.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 158592814
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Frequently Asked Questions

What is the IUPAC name of aluminum;hydrogen carbonate;hydroxylamine;carbonate?
The IUPAC name of aluminum;hydrogen carbonate;hydroxylamine;carbonate (CID 172718754) is aluminum;hydrogen carbonate;hydroxylamine;carbonate.
What is the SMILES notation for aluminum;hydrogen carbonate;hydroxylamine;carbonate?
The canonical SMILES for aluminum;hydrogen carbonate;hydroxylamine;carbonate is NO.O=C([O-])O.O=C([O-])[O-].[Al+3].
What is the InChIKey of aluminum;hydrogen carbonate;hydroxylamine;carbonate?
The InChIKey is GFFTXRIOCVWKDL-UHFFFAOYSA-K. The full InChI is InChI=1S/2CH2O3.Al.H3NO/c2*2-1(3)4;;1-2/h2*(H2,2,3,4);;2H,1H2/q;;+3;/p-3.
What are the key properties of aluminum;hydrogen carbonate;hydroxylamine;carbonate?
aluminum;hydrogen carbonate;hydroxylamine;carbonate has a molecular weight of 181.04 g/mol, XLogP of -4.61, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;hydrogen carbonate;hydroxylamine;carbonate is sourced from PubChem (CID 172718754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).