silver;3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;nitrate

C8H8AgNO6 — CID 88641590

IUPACsilver;3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;nitrate
SMILESO=C1OC(=O)C2CC=CCC12.O=[N+]([O-])[O-].[Ag+]
InChIInChI=1S/C8H8O3.Ag.NO3/c9-7-5-3-1-2-4-6(5)8(10)11-7;;2-1(3)4/h1-2,5-6H,3-4H2;;/q;+1;-1
InChIKeyWIJJSBJHMVBDLO-UHFFFAOYSA-N
MW322.02 g/mol
LogP0.41
Rot. Bonds

About silver;3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;nitrate

silver;3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;nitrate (PubChem CID 88641590) has the molecular formula C8H8AgNO6 and a molecular weight of 322.02 g/mol. Its IUPAC name is silver;3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;nitrate.

Molecular Properties

Compound Namesilver;3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;nitrate
PubChem CID88641590
Molecular FormulaC8H8AgNO6
Molecular Weight322.02 g/mol
Exact Mass320.94
IUPAC Namesilver;3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;nitrate
SMILESO=C1OC(=O)C2CC=CCC12.O=[N+]([O-])[O-].[Ag+]
InChIInChI=1S/C8H8O3.Ag.NO3/c9-7-5-3-1-2-4-6(5)8(10)11-7;;2-1(3)4/h1-2,5-6H,3-4H2;;/q;+1;-1
InChIKeyWIJJSBJHMVBDLO-UHFFFAOYSA-N
XLogP0.41
TPSA109.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.02
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 silver;3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;nitrate?
The IUPAC name of silver;3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;nitrate (CID 88641590) is silver;3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;nitrate.
What is the SMILES notation for silver;3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;nitrate?
The canonical SMILES for silver;3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;nitrate is O=C1OC(=O)C2CC=CCC12.O=[N+]([O-])[O-].[Ag+].
What is the InChIKey of silver;3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;nitrate?
The InChIKey is WIJJSBJHMVBDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.Ag.NO3/c9-7-5-3-1-2-4-6(5)8(10)11-7;;2-1(3)4/h1-2,5-6H,3-4H2;;/q;+1;-1.
What are the key properties of silver;3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;nitrate?
silver;3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;nitrate has a molecular weight of 322.02 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for silver;3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;nitrate is sourced from PubChem (CID 88641590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).