acetylphosphonous acid

C2H5O3P — CID 20532311

IUPACacetylphosphonous acid
SMILESCC(=O)P(O)O
InChIInChI=1S/C2H5O3P/c1-2(3)6(4)5/h4-5H,1H3
InChIKeyGDCXMSXOBPUXOP-UHFFFAOYSA-N
MW108.03 g/mol
LogP-0.17
Rot. Bonds1

About acetylphosphonous acid

acetylphosphonous acid (PubChem CID 20532311) has the molecular formula C2H5O3P and a molecular weight of 108.03 g/mol. Its IUPAC name is acetylphosphonous acid.

Molecular Properties

Compound Nameacetylphosphonous acid
PubChem CID20532311
Molecular FormulaC2H5O3P
Molecular Weight108.03 g/mol
Exact Mass108.00
IUPAC Nameacetylphosphonous acid
SMILESCC(=O)P(O)O
InChIInChI=1S/C2H5O3P/c1-2(3)6(4)5/h4-5H,1H3
InChIKeyGDCXMSXOBPUXOP-UHFFFAOYSA-N
XLogP-0.17
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.03
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylphosphonous acid?
The IUPAC name of acetylphosphonous acid (CID 20532311) is acetylphosphonous acid.
What is the SMILES notation for acetylphosphonous acid?
The canonical SMILES for acetylphosphonous acid is CC(=O)P(O)O.
What is the InChIKey of acetylphosphonous acid?
The InChIKey is GDCXMSXOBPUXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O3P/c1-2(3)6(4)5/h4-5H,1H3.
What are the key properties of acetylphosphonous acid?
acetylphosphonous acid has a molecular weight of 108.03 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylphosphonous acid is sourced from PubChem (CID 20532311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).