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| CAS No.: | 1486-48-2 |
|---|---|
| Name: | 3,4,5-TRIS(BENZYLOXY)BENZOIC ACID |
| Molecular Structure: | |
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| Formula: | C28H24O5 |
| Molecular Weight: | 440.496 |
| Synonyms: | PBA |
| Density: | 1.237g/cm3 |
| Melting Point: | 194-196°C |
| Boiling Point: | 616.471 °C at 760 mmHg |
| Flash Point: | 206.613 °C |
| Appearance: | White to Off-White Solid |
| PSA: | 64.99000 |
| LogP: | 6.12180 |
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Specification
The 3,4,5-Tris(benzyloxy)benzoic Acid with the cas number 1486-48-2. It is also called benzoic acid, 3,4,5-tris(phenylmethoxy)- . It belongs to the following product categories: (1)Aromatics Compounds; (2)Building Blocks for Dendrimers; (3)Functional Materials; (4)Aromatics
Properties of 3,4,5-Tris(benzyloxy)benzoic Acid: (1)ACD/LogP: 4.96 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 6 ; (4)ACD/LogD (pH 7.4): 4 ; (5)ACD/BCF (pH 5.5): 4388 ; (6)ACD/BCF (pH 7.4): 126 ; (7)ACD/KOC (pH 5.5): 5826 ; (8)ACD/KOC (pH 7.4): 168 ; (9)#H bond acceptors: 5 ; (10)#H bond donors: 1 ; (11)#Freely Rotating Bonds: 10 ; (12)Polar Surface Area: 64.99 Å2 ; (13)Index of Refraction: 1.63 ; (14)Molar Refractivity: 126.681 cm3 ; (15)Molar Volume: 356.075 cm3 ; (16)Polarizability: 50.22 ×10-24cm3 ; (17)Surface Tension: 51.927 dyne/cm ; (18)Density: 1.237 g/cm3 ; (19)Flash Point: 206.613 °C ; (20)Enthalpy of Vaporization: 96.128 kJ/mol ; (21)Boiling Point: 616.471 °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=C(O)c4cc(OCc1ccccc1)c(OCc2ccccc2)c(OCc3ccccc3)c4
2. InChI: InChI=1/C28H24O5/c29-28(30)24-16-25(31-18-21-10-4-1-5-11-21)27(33-20-23-14-8-3-9-15-23)26(17-24)32-19-22-12-6-2-7-13-22/h1-17H,18-20H2,(H,29,30)