propanoylphosphonous acid

C3H7O3P — CID 57098272

IUPACpropanoylphosphonous acid
SMILESCCC(=O)P(O)O
InChIInChI=1S/C3H7O3P/c1-2-3(4)7(5)6/h5-6H,2H2,1H3
InChIKeyXOIFCNJSFSJYOW-UHFFFAOYSA-N
MW122.06 g/mol
LogP0.22
Rot. Bonds2

About propanoylphosphonous acid

propanoylphosphonous acid (PubChem CID 57098272) has the molecular formula C3H7O3P and a molecular weight of 122.06 g/mol. Its IUPAC name is propanoylphosphonous acid.

Molecular Properties

Compound Namepropanoylphosphonous acid
PubChem CID57098272
Molecular FormulaC3H7O3P
Molecular Weight122.06 g/mol
Exact Mass122.01
IUPAC Namepropanoylphosphonous acid
SMILESCCC(=O)P(O)O
InChIInChI=1S/C3H7O3P/c1-2-3(4)7(5)6/h5-6H,2H2,1H3
InChIKeyXOIFCNJSFSJYOW-UHFFFAOYSA-N
XLogP0.22
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.06
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze propanoylphosphonous acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propanoylphosphonous acid?
The IUPAC name of propanoylphosphonous acid (CID 57098272) is propanoylphosphonous acid.
What is the SMILES notation for propanoylphosphonous acid?
The canonical SMILES for propanoylphosphonous acid is CCC(=O)P(O)O.
What is the InChIKey of propanoylphosphonous acid?
The InChIKey is XOIFCNJSFSJYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O3P/c1-2-3(4)7(5)6/h5-6H,2H2,1H3.
What are the key properties of propanoylphosphonous acid?
propanoylphosphonous acid has a molecular weight of 122.06 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propanoylphosphonous acid is sourced from PubChem (CID 57098272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).