CID 118856772

C4H5AsKO5 — CID 118856772

IUPAC—
SMILESO=CCC(O)C(=O)O[As](=O)[K]
InChIInChI=1S/C4H5AsO5.K/c6-2-1-3(7)4(8)10-5-9;/h2-3,7H,1H2;
InChIKeyFDNLHYODJJDJRR-UHFFFAOYSA-N
MW247.10 g/mol
LogP-1.94
Rot. Bonds4

About CID 118856772

CID 118856772 (PubChem CID 118856772) has the molecular formula C4H5AsKO5 and a molecular weight of 247.10 g/mol.

Molecular Properties

Compound NameCID 118856772
PubChem CID118856772
Molecular FormulaC4H5AsKO5
Molecular Weight247.10 g/mol
Exact Mass246.90
IUPAC Name—
SMILESO=CCC(O)C(=O)O[As](=O)[K]
InChIInChI=1S/C4H5AsO5.K/c6-2-1-3(7)4(8)10-5-9;/h2-3,7H,1H2;
InChIKeyFDNLHYODJJDJRR-UHFFFAOYSA-N
XLogP-1.94
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 5-1.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 CID 118856772?
The IUPAC name of CID 118856772 (CID 118856772) is not available.
What is the SMILES notation for CID 118856772?
The canonical SMILES for CID 118856772 is O=CCC(O)C(=O)O[As](=O)[K].
What is the InChIKey of CID 118856772?
The InChIKey is FDNLHYODJJDJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5AsO5.K/c6-2-1-3(7)4(8)10-5-9;/h2-3,7H,1H2;.
What are the key properties of CID 118856772?
CID 118856772 has a molecular weight of 247.10 g/mol, XLogP of -1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118856772 is sourced from PubChem (CID 118856772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).