arsanylcarbonyloxy-hydroxy-oxoazanium

CH3AsNO4+ — CID 173061450

IUPACarsanylcarbonyloxy-hydroxy-oxoazanium
SMILESO=C([AsH2])O[N+](=O)O
InChIInChI=1S/CH3AsNO4/c2-1(4)7-3(5)6/h2H2,(H,5,6)/q+1
InChIKeyOSUGDRTUXWXGHK-UHFFFAOYSA-N
MW167.96 g/mol
LogP-1.16
Rot. Bonds1

About arsanylcarbonyloxy-hydroxy-oxoazanium

arsanylcarbonyloxy-hydroxy-oxoazanium (PubChem CID 173061450) has the molecular formula CH3AsNO4+ and a molecular weight of 167.96 g/mol. Its IUPAC name is arsanylcarbonyloxy-hydroxy-oxoazanium.

Molecular Properties

Compound Namearsanylcarbonyloxy-hydroxy-oxoazanium
PubChem CID173061450
Molecular FormulaCH3AsNO4+
Molecular Weight167.96 g/mol
Exact Mass167.93
IUPAC Namearsanylcarbonyloxy-hydroxy-oxoazanium
SMILESO=C([AsH2])O[N+](=O)O
InChIInChI=1S/CH3AsNO4/c2-1(4)7-3(5)6/h2H2,(H,5,6)/q+1
InChIKeyOSUGDRTUXWXGHK-UHFFFAOYSA-N
XLogP-1.16
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.96
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of arsanylcarbonyloxy-hydroxy-oxoazanium?
The IUPAC name of arsanylcarbonyloxy-hydroxy-oxoazanium (CID 173061450) is arsanylcarbonyloxy-hydroxy-oxoazanium.
What is the SMILES notation for arsanylcarbonyloxy-hydroxy-oxoazanium?
The canonical SMILES for arsanylcarbonyloxy-hydroxy-oxoazanium is O=C([AsH2])O[N+](=O)O.
What is the InChIKey of arsanylcarbonyloxy-hydroxy-oxoazanium?
The InChIKey is OSUGDRTUXWXGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3AsNO4/c2-1(4)7-3(5)6/h2H2,(H,5,6)/q+1.
What are the key properties of arsanylcarbonyloxy-hydroxy-oxoazanium?
arsanylcarbonyloxy-hydroxy-oxoazanium has a molecular weight of 167.96 g/mol, XLogP of -1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for arsanylcarbonyloxy-hydroxy-oxoazanium is sourced from PubChem (CID 173061450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).