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1223748-25-1

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Basic Information
CAS No.: 1223748-25-1
Name: 3,5-di-tert-butylphenyl acrylate
Molecular Structure:
Molecular Structure of 1223748-25-1 (3,5-di-tert-butylphenyl acrylate)
Formula: C17H24O2
Molecular Weight: 260.37
Synonyms: 3,5-Di-tert-butylphenyl acrylate;
Density: 0.957 g/cm3
Boiling Point: 323.305 °C at 760 mmHg
Flash Point: 133.295 °C
PSA: 26.30000
LogP: 4.37300
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Specification

The (3,5-Ditert-butylphenyl) prop-2-enoate is an organic compound with the formula C17H24O2. The IUPAC name of this chemical is (3,5-Ditert-butylphenyl) prop-2-enoate. With the CAS registry number 1223748-25-1, it is also named as 3,5-Di-tert-butylphenyl acrylate. Besides, its molecular weight is 260.37.

The physical properties of (3,5-Ditert-butylphenyl) prop-2-enoate are: (1)ACD/LogP: 5.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.012; (4)ACD/LogD (pH 7.4): 5.012; (5)ACD/BCF (pH 5.5): 3793.496; (6)ACD/BCF (pH 7.4): 3793.496; (7)ACD/KOC (pH 5.5): 12690.254; (8)ACD/KOC (pH 7.4): 12690.254; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.491; (13)Molar Refractivity: 78.726 cm3; (14)Molar Volume: 272.038 cm3; (15)Polarizability: 31.21×10-24 cm3; (16)Surface Tension: 29.437 dyne/cm; (17)Density: 0.957 g/cm3; (18)Flash Point: 133.295 °C; (19)Enthalpy of Vaporization: 56.523 kJ/mol; (20)Boiling Point: 323.305 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)c1cc(cc(c1)OC(=O)C=C)C(C)(C)C
(2)InChI: InChI=1/C17H24O2/c1-8-15(18)19-14-10-12(16(2,3)4)9-13(11-14)17(5,6)7/h8-11H,1H2,2-7H3
(3)InChIKey: GMWRUVMAYZGSHK-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C17H24O2/c1-8-15(18)19-14-10-12(16(2,3)4)9-13(11-14)17(5,6)7/h8-11H,1H2,2-7H3
(5)Std. InChIKey: GMWRUVMAYZGSHK-UHFFFAOYSA-N