2-(Phosphonooxy)-2-Propenoic Acid
[CAS# 138-08-9]

Identification

• Name: 2-(Phosphonooxy)-2-Propenoic Acid
• Synonyms: 2-Phosphonooxyacrylic Acid; C00074; Phosphoenolpyruvic Acid
• Molecular Formula: C₃H₅O₆P
• Molecular Weight: 168.04
• CAS Registry Number: 138-08-9
• EINECS: 205-312-2
• SMILES: O=[P](OC(C(=O)O)=C)(O)O
• InChI: 1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
• InChIKey: DTBNBXWJWCWCIK-UHFFFAOYSA-N

Properties

• Density: 1.805g/cm³ (Cal.)
• Boiling point: 466.729°C at 760 mmHg (Cal.)
• Flash point: 236.069°C (Cal.)

References

• (1): M. Souhassou, P. M. Schaber and R. H. Blessing. Structure of tris(cyclohexylammonium) phosphoenolpyruvate monohydrate and crystal chemistry of phosphoenolpyruvates, Acta Cryst. (1996). B52, 865-875