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139-28-6

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Basic Information
CAS No.: 139-28-6
Name: M-(BENZOYLOXY)ACETOPHENONE
Article Data: 7
Molecular Structure:
Molecular Structure of 139-28-6 (M-(BENZOYLOXY)ACETOPHENONE)
Formula: C15H12O3
Molecular Weight: 240.258
Synonyms: Acetophenone,3'-hydroxy-, benzoate (6CI,8CI);3-Acetylphenylbenzoate;3'-Hydroxyacetophenonebenzoate;NSC 103148;m-(Benzoyloxy)acetophenone;m-Acetylphenyl benzoate;
Density: 1.175 g/cm3
Boiling Point: 392 °C at 760 mmHg
Flash Point: 174.8 °C
Appearance: light yellow to dark yellow liquid
PSA: 43.37000
LogP: 3.10840
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Specification

This chemical is called m-(Benzoyloxy)acetophenone, and its systematic name is 3-Acetylphenyl benzoate. With the molecular formula of C15H12O3, its molecular weight is 240.25. The CAS registry number of this chemical is 139-28-6.

Other characteristics of the m-(Benzoyloxy)acetophenone can be summarised as followings: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 43.37 Å2; (7)Index of Refraction: 1.579; (8)Molar Refractivity: 67.92 cm3; (9)Molar Volume: 204.3 cm3; (10)Polarizability: 26.92×10-24cm3; (11)Surface Tension: 45.1 dyne/cm; (12)Density: 1.175 g/cm3; (13)Flash Point: 174.8 °C; (14)Enthalpy of Vaporization: 64.16 kJ/mol; (15)Boiling Point: 392 °C at 760 mmHg; (16)Vapour Pressure: 2.37E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(Oc1cc(ccc1)C(=O)C)c2ccccc2
2.InChI: InChI=1/C15H12O3/c1-11(16)13-8-5-9-14(10-13)18-15(17)12-6-3-2-4-7-12/h2-10H,1H3
3.InChIKey: CCDOBBGYSDWGKY-UHFFFAOYAD
4.Std. InChI: InChI=1S/C15H12O3/c1-11(16)13-8-5-9-14(10-13)18-15(17)12-6-3-2-4-7-12/h2-10H,1H3
5.Std. InChIKey: CCDOBBGYSDWGKY-UHFFFAOYSA-N