oxido-oxo-(2-oxopropyl)phosphanium

C3H5O3P — CID 20532280

About oxido-oxo-(2-oxopropyl)phosphanium

oxido-oxo-(2-oxopropyl)phosphanium (PubChem CID 20532280) has the molecular formula C3H5O3P and a molecular weight of 120.04 g/mol. Its IUPAC name is oxido-oxo-(2-oxopropyl)phosphanium.

Molecular Properties

• Compound Name: oxido-oxo-(2-oxopropyl)phosphanium
• PubChem CID: 20532280
• Molecular Formula: C3H5O3P
• Molecular Weight: 120.04 g/mol
• Exact Mass: 120.00
• IUPAC Name: oxido-oxo-(2-oxopropyl)phosphanium
• SMILES: CC(=O)C[P+](=O)[O-]
• InChI: InChI=1S/C3H5O3P/c1-3(4)2-7(5)6/h2H2,1H3
• InChIKey: PQRXWJLFJNQWAW-UHFFFAOYSA-N
• XLogP: -0.32
• TPSA: 57.20 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	120.04
LogP ≤ 5	-0.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of oxido-oxo-(2-oxopropyl)phosphanium?

The IUPAC name of oxido-oxo-(2-oxopropyl)phosphanium (CID 20532280) is oxido-oxo-(2-oxopropyl)phosphanium.

What is the SMILES notation for oxido-oxo-(2-oxopropyl)phosphanium?

The canonical SMILES for oxido-oxo-(2-oxopropyl)phosphanium is CC(=O)C[P+](=O)[O-].

What is the InChIKey of oxido-oxo-(2-oxopropyl)phosphanium?

The InChIKey is PQRXWJLFJNQWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O3P/c1-3(4)2-7(5)6/h2H2,1H3.

What are the key properties of oxido-oxo-(2-oxopropyl)phosphanium?

oxido-oxo-(2-oxopropyl)phosphanium has a molecular weight of 120.04 g/mol, XLogP of -0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for oxido-oxo-(2-oxopropyl)phosphanium is sourced from PubChem (CID 20532280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).