2-oxoethoxy(phenyl)arsinic acid

C8H9AsO4 — CID 175412982

IUPAC2-oxoethoxy(phenyl)arsinic acid
SMILESO=CCO[As](=O)(O)c1ccccc1
InChIInChI=1S/C8H9AsO4/c10-6-7-13-9(11,12)8-4-2-1-3-5-8/h1-6H,7H2,(H,11,12)
InChIKeyBVBNVCYKYDWHFI-UHFFFAOYSA-N
MW244.08 g/mol
LogP-0.53
Rot. Bonds4

About 2-oxoethoxy(phenyl)arsinic acid

2-oxoethoxy(phenyl)arsinic acid (PubChem CID 175412982) has the molecular formula C8H9AsO4 and a molecular weight of 244.08 g/mol. Its IUPAC name is 2-oxoethoxy(phenyl)arsinic acid.

Molecular Properties

Compound Name2-oxoethoxy(phenyl)arsinic acid
PubChem CID175412982
Molecular FormulaC8H9AsO4
Molecular Weight244.08 g/mol
Exact Mass243.97
IUPAC Name2-oxoethoxy(phenyl)arsinic acid
SMILESO=CCO[As](=O)(O)c1ccccc1
InChIInChI=1S/C8H9AsO4/c10-6-7-13-9(11,12)8-4-2-1-3-5-8/h1-6H,7H2,(H,11,12)
InChIKeyBVBNVCYKYDWHFI-UHFFFAOYSA-N
XLogP-0.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxoethoxy(phenyl)arsinic acid?
The IUPAC name of 2-oxoethoxy(phenyl)arsinic acid (CID 175412982) is 2-oxoethoxy(phenyl)arsinic acid.
What is the SMILES notation for 2-oxoethoxy(phenyl)arsinic acid?
The canonical SMILES for 2-oxoethoxy(phenyl)arsinic acid is O=CCO[As](=O)(O)c1ccccc1.
What is the InChIKey of 2-oxoethoxy(phenyl)arsinic acid?
The InChIKey is BVBNVCYKYDWHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9AsO4/c10-6-7-13-9(11,12)8-4-2-1-3-5-8/h1-6H,7H2,(H,11,12).
What are the key properties of 2-oxoethoxy(phenyl)arsinic acid?
2-oxoethoxy(phenyl)arsinic acid has a molecular weight of 244.08 g/mol, XLogP of -0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoethoxy(phenyl)arsinic acid is sourced from PubChem (CID 175412982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).