sodium 4-methylselenobenzate

C8H7NaOSe — CID 23712547

IUPACsodium 4-methylselenobenzate
SMILESCc1ccc(C([O-])=[Se])cc1.[Na+]
InChIInChI=1S/C8H8OSe.Na/c1-6-2-4-7(5-3-6)8(9)10;/h2-5H,1H3,(H,9,10);/q;+1/p-1
InChIKeyLIKMYQPHSUKPLS-UHFFFAOYSA-M
MW221.09 g/mol
LogP-2.99
Rot. Bonds1

About sodium 4-methylselenobenzate

sodium 4-methylselenobenzate (PubChem CID 23712547) has the molecular formula C8H7NaOSe and a molecular weight of 221.09 g/mol. Its IUPAC name is sodium 4-methylselenobenzate.

Molecular Properties

Compound Namesodium 4-methylselenobenzate
PubChem CID23712547
Molecular FormulaC8H7NaOSe
Molecular Weight221.09 g/mol
Exact Mass221.96
IUPAC Namesodium 4-methylselenobenzate
SMILESCc1ccc(C([O-])=[Se])cc1.[Na+]
InChIInChI=1S/C8H8OSe.Na/c1-6-2-4-7(5-3-6)8(9)10;/h2-5H,1H3,(H,9,10);/q;+1/p-1
InChIKeyLIKMYQPHSUKPLS-UHFFFAOYSA-M
XLogP-2.99
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 5-2.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 4-methylselenobenzate?
The IUPAC name of sodium 4-methylselenobenzate (CID 23712547) is sodium 4-methylselenobenzate.
What is the SMILES notation for sodium 4-methylselenobenzate?
The canonical SMILES for sodium 4-methylselenobenzate is Cc1ccc(C([O-])=[Se])cc1.[Na+].
What is the InChIKey of sodium 4-methylselenobenzate?
The InChIKey is LIKMYQPHSUKPLS-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8OSe.Na/c1-6-2-4-7(5-3-6)8(9)10;/h2-5H,1H3,(H,9,10);/q;+1/p-1.
What are the key properties of sodium 4-methylselenobenzate?
sodium 4-methylselenobenzate has a molecular weight of 221.09 g/mol, XLogP of -2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-methylselenobenzate is sourced from PubChem (CID 23712547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).