benzene-1,4-diselenonic acid

C6H6O6Se2 — CID 140998035

IUPACbenzene-1,4-diselenonic acid
SMILESO=[Se](=O)(O)c1ccc([Se](=O)(=O)O)cc1
InChIInChI=1S/C6H6O6Se2/c7-13(8,9)5-1-2-6(4-3-5)14(10,11)12/h1-4H,(H,7,8,9)(H,10,11,12)
InChIKeyGAVZLRNSYSVAKS-UHFFFAOYSA-N
MW332.03 g/mol
LogP-2.32
Rot. Bonds2

About benzene-1,4-diselenonic acid

benzene-1,4-diselenonic acid (PubChem CID 140998035) has the molecular formula C6H6O6Se2 and a molecular weight of 332.03 g/mol. Its IUPAC name is benzene-1,4-diselenonic acid.

Molecular Properties

Compound Namebenzene-1,4-diselenonic acid
PubChem CID140998035
Molecular FormulaC6H6O6Se2
Molecular Weight332.03 g/mol
Exact Mass333.85
IUPAC Namebenzene-1,4-diselenonic acid
SMILESO=[Se](=O)(O)c1ccc([Se](=O)(=O)O)cc1
InChIInChI=1S/C6H6O6Se2/c7-13(8,9)5-1-2-6(4-3-5)14(10,11)12/h1-4H,(H,7,8,9)(H,10,11,12)
InChIKeyGAVZLRNSYSVAKS-UHFFFAOYSA-N
XLogP-2.32
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.03
LogP ≤ 5-2.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 benzene-1,4-diselenonic acid?
The IUPAC name of benzene-1,4-diselenonic acid (CID 140998035) is benzene-1,4-diselenonic acid.
What is the SMILES notation for benzene-1,4-diselenonic acid?
The canonical SMILES for benzene-1,4-diselenonic acid is O=[Se](=O)(O)c1ccc([Se](=O)(=O)O)cc1.
What is the InChIKey of benzene-1,4-diselenonic acid?
The InChIKey is GAVZLRNSYSVAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O6Se2/c7-13(8,9)5-1-2-6(4-3-5)14(10,11)12/h1-4H,(H,7,8,9)(H,10,11,12).
What are the key properties of benzene-1,4-diselenonic acid?
benzene-1,4-diselenonic acid has a molecular weight of 332.03 g/mol, XLogP of -2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diselenonic acid is sourced from PubChem (CID 140998035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).