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72712-21-1

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Basic Information
CAS No.: 72712-21-1
Name: ACETIC ACID 2-ACETOXY-5-ACETYL-PHENYL ESTER
Article Data: 7
Molecular Structure:
Molecular Structure of 72712-21-1 (ACETIC ACID 2-ACETOXY-5-ACETYL-PHENYL ESTER)
Formula: C12H12O5
Molecular Weight: 236.224
Synonyms: 4-Acetyl-1,2-phenylene diacetate; Acetic acid 2-acetoxy-5-acetyl-phenyl ester; Acetic acid, 2-acetoxy-5-acetylphenyl ester; ethanone, 1-[3,4-bis(acetyloxy)phenyl]-
Density: 1.203 g/cm3
Boiling Point: 379.2 °C at 760 mmHg
Flash Point: 169.5 °C
PSA: 69.67000
LogP: 1.73980
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Specification

This chemical is called (5-acetyl-2-acetyloxy-phenyl) acetate, and it can also be named as Acetic acid, 2-acetoxy-5-acetylphenyl ester. With the molecular formula of C12H12O5, its molecular weight is 236.22. The CAS registry number of this chemical is 72712-21-1.

Other characteristics of the (5-acetyl-2-acetyloxy-phenyl) acetate can be summarised as followings: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 69.67 Å2; (7)Index of Refraction: 1.512; (8)Molar Refractivity: 58.96 cm3; (9)Molar Volume: 196.2 cm3; (10)Polarizability: 23.37×10-24cm3; (11)Surface Tension: 40.6 dyne/cm; (12)Density: 1.203 g/cm3; (13)Flash Point: 169.5 °C; (14)Enthalpy of Vaporization: 62.72 kJ/mol; (15)Boiling Point: 379.2 °C at 760 mmHg; (16)Vapour Pressure: 5.95E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(Oc1cc(ccc1OC(=O)C)C(=O)C)C
2.InChI: InChI=1/C12H12O5/c1-7(13)10-4-5-11(16-8(2)14)12(6-10)17-9(3)15/h4-6H,1-3H3
3.InChIKey: DBRDKWNUFUAJKH-UHFFFAOYAX