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| CAS No.: | 174063-87-7 |
|---|---|
| Name: | 1,4-Bis-[4-(3-acryloyloxypropyloxy)benzoyloxy]-2-methylbenzene |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C33H32O10 |
| Molecular Weight: | 588.611 |
| Synonyms: | 4-(3-Acryloyloxypropyloxy)-benzoesure 2-methyl-1, 4-phenylester;2-Methylbenzene-1,4-diyl bis{4-[3-(acryloyloxy)propoxy]benzoate}; |
| Density: | 1.219 g/cm3 |
| Boiling Point: | 733.5 °C at 760 mmHg |
| Flash Point: | 303.9 °C |
| Solubility: | 5.3μg/L at 20℃ |
| PSA: | 123.66000 |
| LogP: | 5.42960 |
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Specification
The RM257 with CAS registry number of 174063-87-7 is also known as 4-(3-Acryloyloxypropyloxy)-benzoesure 2-methyl-1, 4-phenylester. The systematic name is 2-Methylbenzene-1,4-diyl bis{4-[3-(acryloyloxy)propoxy]benzoate}. In addition, the formula is C33H32O10 and the molecular weight is 588.60.
Physical properties about RM257 are: (1)ACD/LogP: 7.66; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 7.66; (4)ACD/LogD (pH 7.4): 7.66; (5)ACD/BCF (pH 5.5): 388128.41; (6)ACD/BCF (pH 7.4): 388128.41; (7)ACD/KOC (pH 5.5): 348466.84; (8)ACD/KOC (pH 7.4): 348466.84; (9)#H bond acceptors: 10; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 123.66Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 157.05 cm3; (15)Molar Volume: 482.7 cm3; (16)Polarizability: 62.26×10-24cm3; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.219 g/cm3; (19)Flash Point: 303.9 °C; (20)Enthalpy of Vaporization: 107.03 kJ/mol; (21)Boiling Point: 733.5 °C at 760 mmHg; (22)Vapour Pressure: 2.26E-21 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=C(Oc1ccc(cc1C)OC(=O)c2ccc(OCCCOC(=O)C=C)cc2)c3ccc(OCCCOC(=O)C=C)cc3
2. InChI: InChI=1/C33H32O10/c1-4-30(34)40-20-6-18-38-26-12-8-24(9-13-26)32(36)42-28-16-17-29(23(3)22-28)43-33(37)25-10-14-27(15-11-25)39-19-7-21-41-31(35)5-2/h4-5,8-17,22H,1-2,6-7,18-21H2,3H3
3. InChIKey: ISSYGWIDLYOJEN-UHFFFAOYAZ