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120667-15-4

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Basic Information
CAS No.: 120667-15-4
Name: 4-Phosphonophenylglycine
Article Data: 2
Molecular Structure:
Molecular Structure of 120667-15-4 (4-Phosphonophenylglycine)
Formula: C8H10NO5P
Molecular Weight: 231.145
Synonyms: Benzeneaceticacid, a-amino-4-phosphono-, (?à)-;(R,S)-4-Phosphonophenylglycine;(R,S)-PPG;4-Phosphonophenylglycine;
Density: 1.58 g/cm3
Boiling Point: 583.5 °C at 760 mmHg
Flash Point: 306.7 °C
PSA: 130.66000
LogP: 0.27430
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Specification

The 4-Phosphonophenylglycine, with cas registry number 120667-15-4, belongs to the following product categories: Glutamate receptor. It has the systematic name of 2-[(4-phosphonophenyl)amino]acetic acid. Besides this, it is also called glycine, N-(4-phosphonophenyl)-.

Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 6; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 116.67 Å2; (6)Index of Refraction: 1.617; (7)Molar Refractivity: 51.11 cm3; (8)Molar Volume: 146 cm3; (9)Polarizability: 20.26×10-24cm3; (10)Surface Tension: 80.6 dyne/cm; (11)Enthalpy of Vaporization: 91.74 kJ/mol; (12)Vapour Pressure: 1.85E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: OP(O)(=O)c1ccc(NCC(O)=O)cc1
(2)InChI: InChI=1/C8H10NO5P/c10-8(11)5-9-6-1-3-7(4-2-6)15(12,13)14/h1-4,9H,5H2,(H,10,11)(H2,12,13,14)
(3)InChIKey: KWVPFUPHWSJLAQ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H10NO5P/c10-8(11)5-9-6-1-3-7(4-2-6)15(12,13)14/h1-4,9H,5H2,(H,10,11)(H2,12,13,14)
(5)Std. InChIKey: KWVPFUPHWSJLAQ-UHFFFAOYSA-N