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2-Propenoic acid,2-(phosphonooxy)-

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Name

2-Propenoic acid,2-(phosphonooxy)-

EINECS 205-312-2
CAS No. 138-08-9 Density 1.804 g/cm3
PSA 113.87000 LogP -0.30600
Solubility N/A Melting Point N/A
Formula C3H5O6P Boiling Point 466.7 °C at 760 mmHg
Molecular Weight 168.043 Flash Point 236.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 138-08-9 (2-dihydroxyphosphinoyloxyacrylic acid) Hazard Symbols N/A
Synonyms

PEP (phosphate);Phosphoenolpyruvic acid;Acrylicacid, 2-hydroxy-, dihydrogen phosphate (8CI);2-Dihydroxyphosphinoyloxyacrylic acid;2-(Phosphonooxy)prop-2-enoic acid;2-(Phosphonooxy)acrylic acid;Acid 2-(phosphonooxy)acrylique;

Article Data 39

2-Propenoic acid,2-(phosphonooxy)- Specification

The 2-Propenoic acid,2-(phosphonooxy)-, with the CAS registry number 138-08-9, is also known as 2-Dihydroxyphosphinoyloxyacrylic acid. Its EINECS number is 205-312-2. This chemical's molecular formula is C3H5O6P and molecular weight is 168.04. What's more, its systematic name is 2-(Phosphonooxy)prop-2-enoic acid.

Physical properties of 2-Propenoic acid,2-(phosphonooxy)- are: (1)ACD/LogP: -1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.05; (4)ACD/LogD (pH 7.4): -6.84; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 80.87 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 28.76 cm3; (15)Molar Volume: 93 cm3; (16)Polarizability: 11.4×10-24 cm3; (17)Surface Tension: 86.2 dyne/cm; (18)Density: 1.804 g/cm3; (19)Flash Point: 236.1 °C; (20)Enthalpy of Vaporization: 79.83 kJ/mol; (21)Boiling Point: 466.7 °C at 760 mmHg; (22)Vapour Pressure: 5.29E-10 mmHg at 25°C.

Uses of 2-Propenoic acid,2-(phosphonooxy)-: it can be used to produce 2,4,5-trihydroxy-6-(1-hydroxy-2-phosphonooxy-ethyl)-tetrahydro-pyran-2-carboxylic acid at the temperature of 37 °C. It will need reagents DAH 7-P synthase, MnCl2, tris buffer (pH 7.5) and solvent H2O with the reaction time of 10 min. The yield is about 60%.

2-Propenoic acid,2-(phosphonooxy)- can be used to produce 2,4,5-trihydroxy-6-(1-hydroxy-2-phosphonooxy-ethyl)-tetrahydro-pyran-2-carboxylic acid at the temperature of 37 °C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=C(C(=O)O)OP(=O)(O)O
(2)InChI: InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
(3)InChIKey: DTBNBXWJWCWCIK-UHFFFAOYSA-N

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