disodium;dioxido-oxo-phenyl-λ5-arsane

C6H5AsNa2O3 — CID 44593649

IUPACdisodium;dioxido-oxo-phenyl-λ5-arsane
SMILESO=[As]([O-])([O-])c1ccccc1.[Na+].[Na+]
InChIInChI=1S/C6H7AsO3.2Na/c8-7(9,10)6-4-2-1-3-5-6;;/h1-5H,(H2,8,9,10);;/q;2*+1/p-2
InChIKeyIDQWLYXYOJVSLB-UHFFFAOYSA-L
MW246.00 g/mol
LogP-8.01
Rot. Bonds1

About disodium;dioxido-oxo-phenyl-λ5-arsane

disodium;dioxido-oxo-phenyl-λ5-arsane (PubChem CID 44593649) has the molecular formula C6H5AsNa2O3 and a molecular weight of 246.00 g/mol. Its IUPAC name is disodium;dioxido-oxo-phenyl-λ5-arsane.

Molecular Properties

Compound Namedisodium;dioxido-oxo-phenyl-λ5-arsane
PubChem CID44593649
Molecular FormulaC6H5AsNa2O3
Molecular Weight246.00 g/mol
Exact Mass245.93
IUPAC Namedisodium;dioxido-oxo-phenyl-λ5-arsane
SMILESO=[As]([O-])([O-])c1ccccc1.[Na+].[Na+]
InChIInChI=1S/C6H7AsO3.2Na/c8-7(9,10)6-4-2-1-3-5-6;;/h1-5H,(H2,8,9,10);;/q;2*+1/p-2
InChIKeyIDQWLYXYOJVSLB-UHFFFAOYSA-L
XLogP-8.01
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.00
LogP ≤ 5-8.01
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 disodium;dioxido-oxo-phenyl-λ5-arsane?
The IUPAC name of disodium;dioxido-oxo-phenyl-λ5-arsane (CID 44593649) is disodium;dioxido-oxo-phenyl-λ5-arsane.
What is the SMILES notation for disodium;dioxido-oxo-phenyl-λ5-arsane?
The canonical SMILES for disodium;dioxido-oxo-phenyl-λ5-arsane is O=[As]([O-])([O-])c1ccccc1.[Na+].[Na+].
What is the InChIKey of disodium;dioxido-oxo-phenyl-λ5-arsane?
The InChIKey is IDQWLYXYOJVSLB-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H7AsO3.2Na/c8-7(9,10)6-4-2-1-3-5-6;;/h1-5H,(H2,8,9,10);;/q;2*+1/p-2.
What are the key properties of disodium;dioxido-oxo-phenyl-λ5-arsane?
disodium;dioxido-oxo-phenyl-λ5-arsane has a molecular weight of 246.00 g/mol, XLogP of -8.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;dioxido-oxo-phenyl-λ5-arsane is sourced from PubChem (CID 44593649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).