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91442-24-9

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Basic Information
CAS No.: 91442-24-9
Name: 2-Propenoic acid 2-([1,1'-biphenyl]-2-yloxy)ethyl ester
Article Data: 2
Molecular Structure:
Molecular Structure of 91442-24-9 (2-Propenoic acid 2-([1,1'-biphenyl]-2-yloxy)ethyl ester)
Formula: C17H16O3
Molecular Weight: 268.31
Synonyms: OPPEA; 2-Propenoic acid 2-([1,1'-biphenyl]-2-yloxy)ethyl ester
Density: 1.1 g/cm3
Boiling Point: 374.5 °C at 760 mmHg
Flash Point: 157.1 °C
PSA: 35.53000
LogP: 3.46160
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Specification

The 2-Phenylphenoxyethyl acrylate, with the CAS registry number 91442-24-9, has the systematic name of 1-(biphenyl-2-yloxy)ethyl prop-2-enoate. It is also called OPPEA. And the molecular formula of the chemical is C17H16O3.

The characteristics of 2-Phenylphenoxyethyl acrylate are as followings: (1)ACD/LogP: 4.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.26; (4)ACD/LogD (pH 7.4): 4.26; (5)ACD/BCF (pH 5.5): 1026.52; (6)ACD/BCF (pH 7.4): 1026.52; (7)ACD/KOC (pH 5.5): 4978.94; (8)ACD/KOC (pH 7.4): 4978.94; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 77.51 cm3; (15)Molar Volume: 243.6 cm3; (16)Polarizability: 30.72×10-24cm3; (17)Surface Tension: 38.6 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 157.1 °C; (20)Enthalpy of Vaporization: 62.19 kJ/mol; (21)Boiling Point: 374.5 °C at 760 mmHg; (22)Vapour Pressure: 8.32E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C=CC(=O)OC(C)Oc2ccccc2c1ccccc1
(2)InChI: InChI=1/C17H16O3/c1-3-17(18)20-13(2)19-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h3-13H,1H2,2H3
(3)InChIKey: FZVKDMCSVAILQD-UHFFFAOYAK