3-METHYLPHOSPHINICOPROPIONIC ACID

The 3-(Methylphosphinico)propionic acid, with the CAS registry number 15090-23-0, is also known as (2-Carboxyethyl)methylphosphinic acid. It belongs to the product categories of Alpha sort; H-MAlphabetic; M; Pesticides & Metabolites; Metabolites & Impurities; Phosphorylating and Phosphitylating Agents; Isotope Labelled Compounds. Its EINECS number is 239-144-6. This chemical's molecular formula is C₄H₉O₄P and molecular weight is 152.09. What's more, its systematic name is 3-[Hydroxy(methyl)phosphoryl]propanoic acid. Its storage temperature is 2 - 8°C. This chemical is a major metabolite of Glufosinate.

Physical properties of 3-(Methylphosphinico)propionic acid are: (1)ACD/LogP: -1.654; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.24; (4)ACD/LogD (pH 7.4): -6.39; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 84.41 Å²; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 30.554 cm³; (15)Molar Volume: 110.841 cm³; (16)Polarizability: 12.112×10^-24cm³; (17)Surface Tension: 55.1 dyne/cm; (18)Density: 1.372 g/cm³; (19)Flash Point: 249.302 °C; (20)Enthalpy of Vaporization: 82.651 kJ/mol; (21)Boiling Point: 488.609 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCP(=O)(O)C
(2)Std. InChI: InChI=1S/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)
(3)Std. InChIKey: QXFUBAAEKCHBQY-UHFFFAOYSA-N