acetyloxymethyl(methyl)arsinic acid

C4H9AsO4 — CID 141203604

IUPACacetyloxymethyl(methyl)arsinic acid
SMILESCC(=O)OC[As](C)(=O)O
InChIInChI=1S/C4H9AsO4/c1-4(6)9-3-5(2,7)8/h3H2,1-2H3,(H,7,8)
InChIKeyAOYNZFFPDAMGIA-UHFFFAOYSA-N
MW196.03 g/mol
LogP-0.42
Rot. Bonds2

About acetyloxymethyl(methyl)arsinic acid

acetyloxymethyl(methyl)arsinic acid (PubChem CID 141203604) has the molecular formula C4H9AsO4 and a molecular weight of 196.03 g/mol. Its IUPAC name is acetyloxymethyl(methyl)arsinic acid.

Molecular Properties

Compound Nameacetyloxymethyl(methyl)arsinic acid
PubChem CID141203604
Molecular FormulaC4H9AsO4
Molecular Weight196.03 g/mol
Exact Mass195.97
IUPAC Nameacetyloxymethyl(methyl)arsinic acid
SMILESCC(=O)OC[As](C)(=O)O
InChIInChI=1S/C4H9AsO4/c1-4(6)9-3-5(2,7)8/h3H2,1-2H3,(H,7,8)
InChIKeyAOYNZFFPDAMGIA-UHFFFAOYSA-N
XLogP-0.42
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.03
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-deuterioethyl acetate
CID 59439643
acetyloxymethyl acetate;azane
CID 172795061
(3-amino-2-oxopropyl) acetate
CID 22165502
CID 157409555
CID 157409555
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;dihydrochloride
CID 21477582
aminomethyl acetate;hydrate
CID 173252999
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
aminomethyl acetate;dihydrochloride
CID 175752598

Frequently Asked Questions

What is the IUPAC name of acetyloxymethyl(methyl)arsinic acid?
The IUPAC name of acetyloxymethyl(methyl)arsinic acid (CID 141203604) is acetyloxymethyl(methyl)arsinic acid.
What is the SMILES notation for acetyloxymethyl(methyl)arsinic acid?
The canonical SMILES for acetyloxymethyl(methyl)arsinic acid is CC(=O)OC[As](C)(=O)O.
What is the InChIKey of acetyloxymethyl(methyl)arsinic acid?
The InChIKey is AOYNZFFPDAMGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9AsO4/c1-4(6)9-3-5(2,7)8/h3H2,1-2H3,(H,7,8).
What are the key properties of acetyloxymethyl(methyl)arsinic acid?
acetyloxymethyl(methyl)arsinic acid has a molecular weight of 196.03 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxymethyl(methyl)arsinic acid is sourced from PubChem (CID 141203604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).