sodium phenylmethoxyarsinate

C7H8AsNaO3 — CID 174995318

IUPACsodium phenylmethoxyarsinate
SMILESO=[AsH]([O-])OCc1ccccc1.[Na+]
InChIInChI=1S/C7H9AsO3.Na/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5,8H,6H2,(H,9,10);/q;+1/p-1
InChIKeyDNSWWSXHPHDKQO-UHFFFAOYSA-M
MW238.05 g/mol
LogP-3.28
Rot. Bonds3

About sodium phenylmethoxyarsinate

sodium phenylmethoxyarsinate (PubChem CID 174995318) has the molecular formula C7H8AsNaO3 and a molecular weight of 238.05 g/mol. Its IUPAC name is sodium phenylmethoxyarsinate.

Molecular Properties

Compound Namesodium phenylmethoxyarsinate
PubChem CID174995318
Molecular FormulaC7H8AsNaO3
Molecular Weight238.05 g/mol
Exact Mass237.96
IUPAC Namesodium phenylmethoxyarsinate
SMILESO=[AsH]([O-])OCc1ccccc1.[Na+]
InChIInChI=1S/C7H9AsO3.Na/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5,8H,6H2,(H,9,10);/q;+1/p-1
InChIKeyDNSWWSXHPHDKQO-UHFFFAOYSA-M
XLogP-3.28
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.05
LogP ≤ 5-3.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium oxido-oxo-phenylmethoxysilane
CID 23707396
disodium;phenylmethoxymethylbenzene;sulfate
CID 70513406
disodium bis(oxido-oxo-phenylmethoxyphosphanium)
CID 171808155
1-chloro-4-phenylmethoxybutane-2,3-dione
CID 87706836
naphthalene-1,4-dione;phenylmethoxymethylbenzene
CID 67613477
sodium benzyl phenylmethanesulfonate
CID 22169271
CID 66734377
CID 66734377
benzyl hydrogen sulfate
CID 20818
CID 68630458
CID 68630458
phenylmethoxy-λ2-plumbane
CID 173082625
phenylmethoxygallane
CID 173378988
ethane;phenylmethoxymethylbenzene
CID 90943549

Frequently Asked Questions

What is the IUPAC name of sodium phenylmethoxyarsinate?
The IUPAC name of sodium phenylmethoxyarsinate (CID 174995318) is sodium phenylmethoxyarsinate.
What is the SMILES notation for sodium phenylmethoxyarsinate?
The canonical SMILES for sodium phenylmethoxyarsinate is O=[AsH]([O-])OCc1ccccc1.[Na+].
What is the InChIKey of sodium phenylmethoxyarsinate?
The InChIKey is DNSWWSXHPHDKQO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9AsO3.Na/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5,8H,6H2,(H,9,10);/q;+1/p-1.
What are the key properties of sodium phenylmethoxyarsinate?
sodium phenylmethoxyarsinate has a molecular weight of 238.05 g/mol, XLogP of -3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium phenylmethoxyarsinate is sourced from PubChem (CID 174995318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).