2-phenylselanylacetic acid

C8H8O2Se — CID 10976833

IUPAC2-phenylselanylacetic acid
SMILESO=C(O)C[Se]c1ccccc1
InChIInChI=1S/C8H8O2Se/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKeyIHCXOEZMWGFVFO-UHFFFAOYSA-N
MW215.11 g/mol
LogP0.52
Rot. Bonds3

About 2-phenylselanylacetic acid

2-phenylselanylacetic acid (PubChem CID 10976833) has the molecular formula C8H8O2Se and a molecular weight of 215.11 g/mol. Its IUPAC name is 2-phenylselanylacetic acid.

Molecular Properties

Compound Name2-phenylselanylacetic acid
PubChem CID10976833
Molecular FormulaC8H8O2Se
Molecular Weight215.11 g/mol
Exact Mass215.97
IUPAC Name2-phenylselanylacetic acid
SMILESO=C(O)C[Se]c1ccccc1
InChIInChI=1S/C8H8O2Se/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKeyIHCXOEZMWGFVFO-UHFFFAOYSA-N
XLogP0.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.11
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenylselanylacetic acid?
The IUPAC name of 2-phenylselanylacetic acid (CID 10976833) is 2-phenylselanylacetic acid.
What is the SMILES notation for 2-phenylselanylacetic acid?
The canonical SMILES for 2-phenylselanylacetic acid is O=C(O)C[Se]c1ccccc1.
What is the InChIKey of 2-phenylselanylacetic acid?
The InChIKey is IHCXOEZMWGFVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2Se/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10).
What are the key properties of 2-phenylselanylacetic acid?
2-phenylselanylacetic acid has a molecular weight of 215.11 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylselanylacetic acid is sourced from PubChem (CID 10976833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).