hydroxy(2-oxopropyl)phosphinate

C3H6O4P- — CID 25202765

IUPAChydroxy(2-oxopropyl)phosphinate
SMILESCC(=O)CP(=O)([O-])O
InChIInChI=1S/C3H7O4P/c1-3(4)2-8(5,6)7/h2H2,1H3,(H2,5,6,7)/p-1
InChIKeyDVSHXLWNRCEDCW-UHFFFAOYSA-M
MW137.05 g/mol
LogP-0.88
Rot. Bonds2

About hydroxy(2-oxopropyl)phosphinate

hydroxy(2-oxopropyl)phosphinate (PubChem CID 25202765) has the molecular formula C3H6O4P- and a molecular weight of 137.05 g/mol. Its IUPAC name is hydroxy(2-oxopropyl)phosphinate.

Molecular Properties

Compound Namehydroxy(2-oxopropyl)phosphinate
PubChem CID25202765
Molecular FormulaC3H6O4P-
Molecular Weight137.05 g/mol
Exact Mass137.00
IUPAC Namehydroxy(2-oxopropyl)phosphinate
SMILESCC(=O)CP(=O)([O-])O
InChIInChI=1S/C3H7O4P/c1-3(4)2-8(5,6)7/h2H2,1H3,(H2,5,6,7)/p-1
InChIKeyDVSHXLWNRCEDCW-UHFFFAOYSA-M
XLogP-0.88
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.05
LogP ≤ 5-0.88
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

(2-Oxopropyl)phosphonic Acid
CID 425760
(3-Oxobutyl)phosphonic acid
CID 15667653
Methylphosphonoacetone
CID 316550
Acetylmethyl phosphinic acid
CID 20700701
Trihydroxy(2-oxopropyl)phosphanium
CID 54535338
(1-Fluoro-2-oxopropyl)phosphonic acid
CID 20132608
(2-Oxo-1-phosphonopropyl)phosphonic acid
CID 54223338
(1-Deuterio-2-oxopropyl)-trihydroxyphosphanium
CID 91437015
Sodium 3-oxobutan-2-ylphosphonic acid
CID 54601601
Sodium 2-oxopropylphosphonic acid
CID 54611824
3-Oxobutan-2-ylphosphonic acid
CID 330863
Hydroxy-oxo-(3-oxobutyl)phosphanium
CID 19352848

Frequently Asked Questions

What is the IUPAC name of hydroxy(2-oxopropyl)phosphinate?
The IUPAC name of hydroxy(2-oxopropyl)phosphinate (CID 25202765) is hydroxy(2-oxopropyl)phosphinate.
What is the SMILES notation for hydroxy(2-oxopropyl)phosphinate?
The canonical SMILES for hydroxy(2-oxopropyl)phosphinate is CC(=O)CP(=O)([O-])O.
What is the InChIKey of hydroxy(2-oxopropyl)phosphinate?
The InChIKey is DVSHXLWNRCEDCW-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7O4P/c1-3(4)2-8(5,6)7/h2H2,1H3,(H2,5,6,7)/p-1.
What are the key properties of hydroxy(2-oxopropyl)phosphinate?
hydroxy(2-oxopropyl)phosphinate has a molecular weight of 137.05 g/mol, XLogP of -0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(2-oxopropyl)phosphinate is sourced from PubChem (CID 25202765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).