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2-Oxophosphinothricin

2-Oxophosphinothricin structure

CAS No:
79778-02-2
Formula:
C5H9O5P
Chemical Name:
2-Oxophosphinothricin
Synonyms:
Butanoic acid,4-(hydroxymethylphosphinyl)-2-oxo-;4-(Hydroxymethylphosphinyl)-2-oxobutanoic acid;2-Oxophosphinothricin;PPO;2-Oxo-4-[(hydroxy)(methyl)phosphinoyl]butyric acid;121784-00-7
Categories:
Chemical Reagents > Organic Reagents

Description

4-(hydroxymethylphosphinyl)-2-oxobutyric acid is a butyric acid derivative having an oxo group at the 2-position and a hydroxymethylphosphinyl moiety at the 4-position. It derives from a butyric acid. It is a conjugate acid of a 4-(hydroxymethylphosphinyl)-2-oxobutyrate.

2-Oxophosphinothricin Basic Attributes

Molecular Weight：

180.1

Exact Mass：

180.10

Characteristics

PSA：

125.81000

XLogP3：

-0.19260

Density：

1.446±0.06 g/cm3

Melting Point：

101 °C @ Solvent: Diethyl ether, Acetone

Boiling Point：

481.8±28.0 °C(Predicted)

PKA：

2.45±0.54

Computed Properties

Molecular Weight:180.10
XLogP3:-1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:180.01876038
Monoisotopic Mass:180.01876038
Topological Polar Surface Area:91.7
Heavy Atom Count:11
Complexity:221
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes