sodium 2-methylbenzeneselenonate

C7H7NaO3Se — CID 23710660

IUPACsodium 2-methylbenzeneselenonate
SMILESCc1ccccc1[Se](=O)(=O)[O-].[Na+]
InChIInChI=1S/C7H8O3Se.Na/c1-6-4-2-3-5-7(6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1
InChIKeyWOXDGNZTGCBVNU-UHFFFAOYSA-M
MW241.08 g/mol
LogP-3.63
Rot. Bonds1

About sodium 2-methylbenzeneselenonate

sodium 2-methylbenzeneselenonate (PubChem CID 23710660) has the molecular formula C7H7NaO3Se and a molecular weight of 241.08 g/mol. Its IUPAC name is sodium 2-methylbenzeneselenonate.

Molecular Properties

Compound Namesodium 2-methylbenzeneselenonate
PubChem CID23710660
Molecular FormulaC7H7NaO3Se
Molecular Weight241.08 g/mol
Exact Mass241.95
IUPAC Namesodium 2-methylbenzeneselenonate
SMILESCc1ccccc1[Se](=O)(=O)[O-].[Na+]
InChIInChI=1S/C7H8O3Se.Na/c1-6-4-2-3-5-7(6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1
InChIKeyWOXDGNZTGCBVNU-UHFFFAOYSA-M
XLogP-3.63
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 5-3.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-methylbenzeneselenonate?
The IUPAC name of sodium 2-methylbenzeneselenonate (CID 23710660) is sodium 2-methylbenzeneselenonate.
What is the SMILES notation for sodium 2-methylbenzeneselenonate?
The canonical SMILES for sodium 2-methylbenzeneselenonate is Cc1ccccc1[Se](=O)(=O)[O-].[Na+].
What is the InChIKey of sodium 2-methylbenzeneselenonate?
The InChIKey is WOXDGNZTGCBVNU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O3Se.Na/c1-6-4-2-3-5-7(6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1.
What are the key properties of sodium 2-methylbenzeneselenonate?
sodium 2-methylbenzeneselenonate has a molecular weight of 241.08 g/mol, XLogP of -3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methylbenzeneselenonate is sourced from PubChem (CID 23710660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).