CID 174576750

H2AlNNaO2 — CID 174576750

IUPAC—
SMILESO=NO.[Al].[H-].[Na+]
InChIInChI=1S/Al.HNO2.Na.H/c;2-1-3;;/h;(H,2,3);;/q;;+1;-1
InChIKeyZLUJHEKURVYQTG-UHFFFAOYSA-N
MW97.99 g/mol
LogP-3.12
Rot. Bonds

About CID 174576750

CID 174576750 (PubChem CID 174576750) has the molecular formula H2AlNNaO2 and a molecular weight of 97.99 g/mol.

Molecular Properties

Compound NameCID 174576750
PubChem CID174576750
Molecular FormulaH2AlNNaO2
Molecular Weight97.99 g/mol
Exact Mass97.98
IUPAC Name—
SMILESO=NO.[Al].[H-].[Na+]
InChIInChI=1S/Al.HNO2.Na.H/c;2-1-3;;/h;(H,2,3);;/q;;+1;-1
InChIKeyZLUJHEKURVYQTG-UHFFFAOYSA-N
XLogP-3.12
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.99
LogP ≤ 5-3.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174576750?
The IUPAC name of CID 174576750 (CID 174576750) is not available.
What is the SMILES notation for CID 174576750?
The canonical SMILES for CID 174576750 is O=NO.[Al].[H-].[Na+].
What is the InChIKey of CID 174576750?
The InChIKey is ZLUJHEKURVYQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.HNO2.Na.H/c;2-1-3;;/h;(H,2,3);;/q;;+1;-1.
What are the key properties of CID 174576750?
CID 174576750 has a molecular weight of 97.99 g/mol, XLogP of -3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174576750 is sourced from PubChem (CID 174576750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).