acetyl(methyl)phosphinic acid

C3H7O3P — CID 56624456

IUPACacetyl(methyl)phosphinic acid
SMILESCC(=O)P(C)(=O)O
InChIInChI=1S/C3H7O3P/c1-3(4)7(2,5)6/h1-2H3,(H,5,6)
InChIKeyFMPHMQNWLFQINY-UHFFFAOYSA-N
MW122.06 g/mol
LogP0.43
Rot. Bonds1

About acetyl(methyl)phosphinic acid

acetyl(methyl)phosphinic acid (PubChem CID 56624456) has the molecular formula C3H7O3P and a molecular weight of 122.06 g/mol. Its IUPAC name is acetyl(methyl)phosphinic acid.

Molecular Properties

Compound Nameacetyl(methyl)phosphinic acid
PubChem CID56624456
Molecular FormulaC3H7O3P
Molecular Weight122.06 g/mol
Exact Mass122.01
IUPAC Nameacetyl(methyl)phosphinic acid
SMILESCC(=O)P(C)(=O)O
InChIInChI=1S/C3H7O3P/c1-3(4)7(2,5)6/h1-2H3,(H,5,6)
InChIKeyFMPHMQNWLFQINY-UHFFFAOYSA-N
XLogP0.43
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.06
LogP ≤ 50.43
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 acetyl(methyl)phosphinic acid?
The IUPAC name of acetyl(methyl)phosphinic acid (CID 56624456) is acetyl(methyl)phosphinic acid.
What is the SMILES notation for acetyl(methyl)phosphinic acid?
The canonical SMILES for acetyl(methyl)phosphinic acid is CC(=O)P(C)(=O)O.
What is the InChIKey of acetyl(methyl)phosphinic acid?
The InChIKey is FMPHMQNWLFQINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O3P/c1-3(4)7(2,5)6/h1-2H3,(H,5,6).
What are the key properties of acetyl(methyl)phosphinic acid?
acetyl(methyl)phosphinic acid has a molecular weight of 122.06 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(methyl)phosphinic acid is sourced from PubChem (CID 56624456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).