sodium 4-nitrosophenolate

C6H4NNaO2 — CID 23677962

IUPACsodium 4-nitrosophenolate
SMILESO=Nc1ccc([O-])cc1.[Na+]
InChIInChI=1S/C6H5NO2.Na/c8-6-3-1-5(7-9)2-4-6;/h1-4,8H;/q;+1/p-1
InChIKeyNAGJRPZQLWHEHH-UHFFFAOYSA-M
MW145.09 g/mol
LogP-1.84
Rot. Bonds1

About sodium 4-nitrosophenolate

sodium 4-nitrosophenolate (PubChem CID 23677962) has the molecular formula C6H4NNaO2 and a molecular weight of 145.09 g/mol. Its IUPAC name is sodium 4-nitrosophenolate.

Molecular Properties

Compound Namesodium 4-nitrosophenolate
PubChem CID23677962
Molecular FormulaC6H4NNaO2
Molecular Weight145.09 g/mol
Exact Mass145.01
IUPAC Namesodium 4-nitrosophenolate
SMILESO=Nc1ccc([O-])cc1.[Na+]
InChIInChI=1S/C6H5NO2.Na/c8-6-3-1-5(7-9)2-4-6;/h1-4,8H;/q;+1/p-1
InChIKeyNAGJRPZQLWHEHH-UHFFFAOYSA-M
XLogP-1.84
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.09
LogP ≤ 5-1.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 4-nitrosophenolate?
The IUPAC name of sodium 4-nitrosophenolate (CID 23677962) is sodium 4-nitrosophenolate.
What is the SMILES notation for sodium 4-nitrosophenolate?
The canonical SMILES for sodium 4-nitrosophenolate is O=Nc1ccc([O-])cc1.[Na+].
What is the InChIKey of sodium 4-nitrosophenolate?
The InChIKey is NAGJRPZQLWHEHH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5NO2.Na/c8-6-3-1-5(7-9)2-4-6;/h1-4,8H;/q;+1/p-1.
What are the key properties of sodium 4-nitrosophenolate?
sodium 4-nitrosophenolate has a molecular weight of 145.09 g/mol, XLogP of -1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-nitrosophenolate is sourced from PubChem (CID 23677962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).