acetylphosphinic acid

C2H5O3P — CID 3016540

IUPACacetylphosphinic acid
SMILESCC(=O)[PH](=O)O
InChIInChI=1S/C2H5O3P/c1-2(3)6(4)5/h6H,1H3,(H,4,5)
InChIKeyVHOASFPIQJTCIH-UHFFFAOYSA-N
MW108.03 g/mol
LogP-0.00
Rot. Bonds1

About acetylphosphinic acid

acetylphosphinic acid (PubChem CID 3016540) has the molecular formula C2H5O3P and a molecular weight of 108.03 g/mol. Its IUPAC name is acetylphosphinic acid.

Molecular Properties

Compound Nameacetylphosphinic acid
PubChem CID3016540
Molecular FormulaC2H5O3P
Molecular Weight108.03 g/mol
Exact Mass108.00
IUPAC Nameacetylphosphinic acid
SMILESCC(=O)[PH](=O)O
InChIInChI=1S/C2H5O3P/c1-2(3)6(4)5/h6H,1H3,(H,4,5)
InChIKeyVHOASFPIQJTCIH-UHFFFAOYSA-N
XLogP-0.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.03
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylphosphinic acid?
The IUPAC name of acetylphosphinic acid (CID 3016540) is acetylphosphinic acid.
What is the SMILES notation for acetylphosphinic acid?
The canonical SMILES for acetylphosphinic acid is CC(=O)[PH](=O)O.
What is the InChIKey of acetylphosphinic acid?
The InChIKey is VHOASFPIQJTCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O3P/c1-2(3)6(4)5/h6H,1H3,(H,4,5).
What are the key properties of acetylphosphinic acid?
acetylphosphinic acid has a molecular weight of 108.03 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylphosphinic acid is sourced from PubChem (CID 3016540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).