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178671-58-4

Basic Information
CAS No.: 178671-58-4
Name: 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 2,2-bis(2-cyano-1-oxo-3,3-diphenyl-2-propenyl)oxymethyl-1,3-propanediyl ester
Article Data: 2
Molecular Structure:
Molecular Structure of 178671-58-4 (2-Propenoic acid, 2-cyano-3,3-diphenyl-, 2,2-bis(2-cyano-1-oxo-3,3-diphenyl-2-propenyl)oxymethyl-1,3-propanediyl ester)
Formula: C69H48N4O8
Molecular Weight: 1061.16
Synonyms: 2-Propenoic acid, 2-cyano-3,3-diphenyl-,2,2-bis[[(2-cyano-1-oxo-3,3-diphenyl-2-propenyl)oxy]methyl]-1,3-propanediylester (9CI);Pentaerythritol tetrakis(2-cyano-3,3-diphenylacrylate);Uvinul 3030;1,3-Bis-[(2'-cyano-3',3'-diphenylacryloyl)oxy]-2,2-bis-[[(2'-cyano-3',3'-diphenylacryloyl)oxy]methyl]propane;
EINECS: 924-350-7
Density: 1.268 g/cm3
Boiling Point: 1077.363 °C at 760 mmHg
Flash Point: 418.445 °C
PSA: 191.13000
LogP: 12.39720
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Specification

The Uvinul 3030, with the CAS registry number 168091-80-3, is also known as Pentaerythritol tetrakis(2-cyano-3,3-diphenylacrylate). This chemical's molecular formula is C69H48N4O8 and molecular weight is 1061.14. What's more, its systematic name is 3-[(2-Cyano-3,3-diphenylacryloyl)oxy]-2,2-bis{[(2-cyano-3,3-diphenylacryloyl)oxy]methyl}propyl 2-cyano-3,3-diphenylacrylate.

Physical properties of Uvinul 3030 are: (1)ACD/LogP: 12.965; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 12.97; (4)ACD/LogD (pH 7.4): 12.97; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 10000000.00; (8)ACD/KOC (pH 7.4): 10000000.00; (9)#H bond acceptors: 12; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 24; (12)Polar Surface Area: 200.36 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 302.369 cm3; (15)Molar Volume: 837.1 cm3; (16)Polarizability: 119.869×10-24cm3; (17)Surface Tension: 58.3 dyne/cm; (18)Density: 1.268 g/cm3; (19)Flash Point: 418.445 °C; (20)Enthalpy of Vaporization: 158.381 kJ/mol; (21)Boiling Point: 1077.363 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#C/C(=C(/c1ccccc1)c2ccccc2)C(=O)OCC(COC(=O)C(\C#N)=C(/c3ccccc3)c4ccccc4)(COC(=O)C(\C#N)=C(/c5ccccc5)c6ccccc6)COC(=O)C(\C#N)=C(/c7ccccc7)c8ccccc8
(2)Std. InChI: InChI=1S/C69H48N4O8/c70-41-57(61(49-25-9-1-10-26-49)50-27-11-2-12-28-50)65(74)78-45-69(46-79-66(75)58(42-71)62(51-29-13-3-14-30-51)52-31-15-4-16-32-52,47-80-67(76)59(43-72)63(53-33-17-5-18-34-53)54-35-19-6-20-36-54)48-81-68(77)60(44-73)64(55-37-21-7-22-38-55)56-39-23-8-24-40-56/h1-40H,45-48H2
(3)Std. InChIKey: CVSXFBFIOUYODT-UHFFFAOYSA-N