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803-19-0

Basic Information
CAS No.: 803-19-0
Name: Bis(4-carboxyphenyl)phenyl-phosphine oxide
Article Data: 6
Molecular Structure:
Molecular Structure of 803-19-0 (Bis(4-carboxyphenyl)phenyl-phosphine oxide)
Formula: C20H15O5P
Molecular Weight: 366.31
Synonyms: Benzoicacid, 4,4'-(phenylphosphinylidene)di- (6CI,7CI,8CI);Bis(4-carboxyphenyl)phenylphosphine oxide;
EINECS: 212-355-0
Density: 1.42 g/cm3
Boiling Point: 642.9 °C at 760 mmHg
Flash Point: 342.6 °C
Solubility: 73.26mg/L(23 oC)
PSA: 101.48000
LogP: 2.72240
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Specification

This chemical is called Bis(4-carboxyphenyl)phenyl-phosphine oxide, and it can also be named as 4,4'-(Phenylphosphinylidene)dibenzoic acid. With the molecular formula of C20H15O5P, its molecular weight is 366.31. The CAS registry number of this chemical is 803-19-0. Additionally, its product category is API intermediates.

Other characteristics of the Bis(4-carboxyphenyl)phenyl-phosphine oxide can be summarised as followings: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.41; (4)ACD/LogD (pH 7.4): -1.93; (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: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 79.48 Å2; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 95.46 cm3; (15)Molar Volume: 256.2 cm3; (16)Polarizability: 37.84×10-24cm3; (17)Surface Tension: 70.9 dyne/cm; (18)Density: 1.42 g/cm3; (19)Flash Point: 342.6 °C; (20)Enthalpy of Vaporization: 99.71 kJ/mol; (21)Boiling Point: 642.9 °C at 760 mmHg; (22)Vapour Pressure: 2.08E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=P(c1ccc(C(=O)O)cc1)(c2ccc(C(=O)O)cc2)c3ccccc3
2.InChI: InChI=1/C20H15O5P/c21-19(22)14-6-10-17(11-7-14)26(25,16-4-2-1-3-5-16)18-12-8-15(9-13-18)20(23)24/h1-13H,(H,21,22)(H,23,24)
3.InChIKey: UVTXHAOLTBFLDL-UHFFFAOYAK