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Phosphoglycolate

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Name

Phosphoglycolate

EINECS 236-084-2
CAS No. 13147-57-4 Density 1.91 g/cm3
PSA 113.87000 LogP -0.81970
Solubility N/A Melting Point N/A
Formula C2H5O6P Boiling Point 451.09 °C at 760 mmHg
Molecular Weight 156.032 Flash Point 226.612 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13147-57-4 ((phosphonooxy)acetic acid) Hazard Symbols N/A
Synonyms

Aceticacid, (phosphonooxy)- (9CI);Glycolic acid phosphate (6CI);Glycolic acid, di-Hphosphate (7CI);Glycolic acid, dihydrogen phosphate (8CI);2-Phosphoglycolicacid;Glycophosphoric acid;Phosphoglycolic acid;

Article Data 13

Phosphoglycolate Specification

The Phosphoglycolate, with the CAS registry number 13147-57-4, is also known as Glycophosphoric acid. Its EINECS number is 236-084-2. This chemical's molecular formula is C2H5O6P and molecular weight is 156.03. What's more, its systematic name is (Phosphonooxy)acetic acid.

Physical properties of Phosphoglycolate are: (1)ACD/LogP: -3.051; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -7.83; (4)ACD/LogD (pH 7.4): -8.57; (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: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 113.87 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 24.568 cm3; (15)Molar Volume: 81.696 cm3; (16)Polarizability: 9.74×10-24cm3; (17)Surface Tension: 100.6 dyne/cm; (18)Density: 1.91 g/cm3; (19)Flash Point: 226.612 °C; (20)Enthalpy of Vaporization: 77.83 kJ/mol; (21)Boiling Point: 451.09 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(O)(O)OCC(=O)O
(2)Std. InChI: InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
(3)Std. InChIKey: ASCFNMCAHFUBCO-UHFFFAOYSA-N

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