hydroxy-oxo-(2-oxopropyl)phosphanium

C3H6O3P+ — CID 20700701

IUPAChydroxy-oxo-(2-oxopropyl)phosphanium
SMILESCC(=O)C[P+](=O)O
InChIInChI=1S/C3H5O3P/c1-3(4)2-7(5)6/h2H2,1H3/p+1
InChIKeyPQRXWJLFJNQWAW-UHFFFAOYSA-O
MW121.05 g/mol
LogP0.31
Rot. Bonds2

About hydroxy-oxo-(2-oxopropyl)phosphanium

hydroxy-oxo-(2-oxopropyl)phosphanium (PubChem CID 20700701) has the molecular formula C3H6O3P+ and a molecular weight of 121.05 g/mol. Its IUPAC name is hydroxy-oxo-(2-oxopropyl)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(2-oxopropyl)phosphanium
PubChem CID20700701
Molecular FormulaC3H6O3P+
Molecular Weight121.05 g/mol
Exact Mass121.00
IUPAC Namehydroxy-oxo-(2-oxopropyl)phosphanium
SMILESCC(=O)C[P+](=O)O
InChIInChI=1S/C3H5O3P/c1-3(4)2-7(5)6/h2H2,1H3/p+1
InChIKeyPQRXWJLFJNQWAW-UHFFFAOYSA-O
XLogP0.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.05
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-Oxopropyl)phosphonic Acid
CID 425760
(3-Oxobutyl)phosphonic acid
CID 15667653
Phosphinoyl-2-propanone
CID 53833042
(1-Fluoro-2-oxopropyl)phosphonic acid
CID 20132608
Methyl(3-oxobutyl)phosphinic acid
CID 303550
(2-Oxo-1-phosphonopropyl)phosphonic acid
CID 54223338
Acetonylphosphonate
CID 25202765
Acetonyl thiophosphonic acid
CID 59034135
Sodium 2-oxopropylphosphonic acid
CID 54611824
3-Oxobutan-2-ylphosphonic acid
CID 330863
Hydroxy-oxo-(3-oxobutyl)phosphanium
CID 19352848
2-Oxobutylphosphonic acid
CID 20348398

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(2-oxopropyl)phosphanium?
The IUPAC name of hydroxy-oxo-(2-oxopropyl)phosphanium (CID 20700701) is hydroxy-oxo-(2-oxopropyl)phosphanium.
What is the SMILES notation for hydroxy-oxo-(2-oxopropyl)phosphanium?
The canonical SMILES for hydroxy-oxo-(2-oxopropyl)phosphanium is CC(=O)C[P+](=O)O.
What is the InChIKey of hydroxy-oxo-(2-oxopropyl)phosphanium?
The InChIKey is PQRXWJLFJNQWAW-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H5O3P/c1-3(4)2-7(5)6/h2H2,1H3/p+1.
What are the key properties of hydroxy-oxo-(2-oxopropyl)phosphanium?
hydroxy-oxo-(2-oxopropyl)phosphanium has a molecular weight of 121.05 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(2-oxopropyl)phosphanium is sourced from PubChem (CID 20700701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).