acetyl(hydroxy)phosphinate

C2H4O4P- — CID 146036974

IUPACacetyl(hydroxy)phosphinate
SMILESCC(=O)P(=O)([O-])O
InChIInChI=1S/C2H5O4P/c1-2(3)7(4,5)6/h1H3,(H2,4,5,6)/p-1
InChIKeyTYVWLCJTWHVKRD-UHFFFAOYSA-M
MW123.02 g/mol
LogP-0.92
Rot. Bonds1

About acetyl(hydroxy)phosphinate

acetyl(hydroxy)phosphinate (PubChem CID 146036974) has the molecular formula C2H4O4P- and a molecular weight of 123.02 g/mol. Its IUPAC name is acetyl(hydroxy)phosphinate.

Molecular Properties

Compound Nameacetyl(hydroxy)phosphinate
PubChem CID146036974
Molecular FormulaC2H4O4P-
Molecular Weight123.02 g/mol
Exact Mass122.99
IUPAC Nameacetyl(hydroxy)phosphinate
SMILESCC(=O)P(=O)([O-])O
InChIInChI=1S/C2H5O4P/c1-2(3)7(4,5)6/h1H3,(H2,4,5,6)/p-1
InChIKeyTYVWLCJTWHVKRD-UHFFFAOYSA-M
XLogP-0.92
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.02
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetylphosphonic acid
CID 81311
Methyl hydrogen (S)-acetylphosphonate
CID 155197
Acetyl(methoxy)phosphinate
CID 656481
Acetylphosphinic acid
CID 3016540
Acetylphosphinate
CID 6365480
Propanoylphosphonic acid
CID 10130096
Propionylphosphinic acid
CID 21409645
Acetyl(trihydroxy)phosphanium
CID 53869567
Trihydroxy-(2-phosphonoacetyl)phosphanium
CID 54139077
Acetyl(methyl)phosphinic acid
CID 56624456
Sodium hydroxy(propanoyl)phosphinate
CID 10130095
Acetylphosphonous acid
CID 20532311

Frequently Asked Questions

What is the IUPAC name of acetyl(hydroxy)phosphinate?
The IUPAC name of acetyl(hydroxy)phosphinate (CID 146036974) is acetyl(hydroxy)phosphinate.
What is the SMILES notation for acetyl(hydroxy)phosphinate?
The canonical SMILES for acetyl(hydroxy)phosphinate is CC(=O)P(=O)([O-])O.
What is the InChIKey of acetyl(hydroxy)phosphinate?
The InChIKey is TYVWLCJTWHVKRD-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5O4P/c1-2(3)7(4,5)6/h1H3,(H2,4,5,6)/p-1.
What are the key properties of acetyl(hydroxy)phosphinate?
acetyl(hydroxy)phosphinate has a molecular weight of 123.02 g/mol, XLogP of -0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(hydroxy)phosphinate is sourced from PubChem (CID 146036974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).