CID 173388240

AlNNaO3 — CID 173388240

IUPAC—
SMILESO=[N+]([O-])[O-].[Al].[Na+]
InChIInChI=1S/Al.NO3.Na/c;2-1(3)4;/q;-1;+1
InChIKeySIHIEBFPMYKYFR-UHFFFAOYSA-N
MW111.98 g/mol
LogP-3.62
Rot. Bonds

About CID 173388240

CID 173388240 (PubChem CID 173388240) has the molecular formula AlNNaO3 and a molecular weight of 111.98 g/mol.

Molecular Properties

Compound NameCID 173388240
PubChem CID173388240
Molecular FormulaAlNNaO3
Molecular Weight111.98 g/mol
Exact Mass111.96
IUPAC Name—
SMILESO=[N+]([O-])[O-].[Al].[Na+]
InChIInChI=1S/Al.NO3.Na/c;2-1(3)4;/q;-1;+1
InChIKeySIHIEBFPMYKYFR-UHFFFAOYSA-N
XLogP-3.62
TPSA66.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.98
LogP ≤ 5-3.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173388240?
The IUPAC name of CID 173388240 (CID 173388240) is not available.
What is the SMILES notation for CID 173388240?
The canonical SMILES for CID 173388240 is O=[N+]([O-])[O-].[Al].[Na+].
What is the InChIKey of CID 173388240?
The InChIKey is SIHIEBFPMYKYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.NO3.Na/c;2-1(3)4;/q;-1;+1.
What are the key properties of CID 173388240?
CID 173388240 has a molecular weight of 111.98 g/mol, XLogP of -3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173388240 is sourced from PubChem (CID 173388240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).