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155222-48-3

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Basic Information
CAS No.: 155222-48-3
Name: 3,5-Diacetoxystyrene
Article Data: 6
Molecular Structure:
Molecular Structure of 155222-48-3 (3,5-Diacetoxystyrene)
Formula: C12H12O4
Molecular Weight: 220.225
Synonyms: 1,3-Benzenediol,5-ethenyl-, diacetate (9CI);3,5-Diacetoxystyrene;
Density: 1.155 g/cm3
Boiling Point: 336.6 °C at 760 mmHg
Flash Point: 167.6 °C
PSA: 52.60000
LogP: 2.18020
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Specification

The CAS register number of 3,5-Diacetoxystyrene is 155222-48-3. It also can be called as 1,3-Benzenediol,5-ethenyl-, 1,3-diacetate and the systematic name about this chemical is 5-ethenylbenzene-1,3-diyl diacetate. The molecular formula about this chemical is C12H12O4 and the molecular weight is 220.22.

Physical properties about 3,5-Diacetoxystyrene are: (1)ACD/LogP: 1.37; (2)ACD/LogD (pH 5.5): 1.37; (3)ACD/LogD (pH 7.4): 1.37; (4)ACD/BCF (pH 5.5): 6.5; (5)ACD/BCF (pH 7.4): 6.5; (6)ACD/KOC (pH 5.5): 132.96; (7)ACD/KOC (pH 7.4): 132.96; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 52.6Å2; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 59.85 cm3; (13)Molar Volume: 190.6 cm3; (14)Polarizability: 23.72x10-24cm3; (15)Surface Tension: 38.6 dyne/cm; (16)Enthalpy of Vaporization: 57.98 kJ/mol; (17)Boiling Point: 336.6 °C at 760 mmHg; (18)Vapour Pressure: 0.000111 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1cc(cc(OC(=O)C)c1)\C=C)C
(2)InChI: InChI=1/C12H12O4/c1-4-10-5-11(15-8(2)13)7-12(6-10)16-9(3)14/h4-7H,1H2,2-3H3
(3)InChIKey: JEKQGWWKEWSQCU-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C12H12O4/c1-4-10-5-11(15-8(2)13)7-12(6-10)16-9(3)14/h4-7H,1H2,2-3H3
(5)Std. InChIKey: JEKQGWWKEWSQCU-UHFFFAOYSA-N