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CAS No.: | 26388-13-6 |
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Name: | 1-(2-PHENOXYPHENYL)ETHANONE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C14H12O2 |
Molecular Weight: | 212.248 |
Synonyms: | Acetophenone, 2'-phenoxy- (8CI);2-Acetyldiphenyl ether;2-Acetylphenyl phenyl ether; |
Density: | 1.108 g/cm3 |
Melting Point: | 132 °C |
Boiling Point: | 310.029 °C at 760 mmHg |
Flash Point: | 131.672 °C |
PSA: | 26.30000 |
LogP: | 3.68150 |
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The CAS registry number of Ethanone, 1-(2-phenoxyphenyl)- is 26388-13-6. This chemical is also named as 2-Acetyldiphenyl ether. In addition, its molecular formula is C14H12O2 and molecular weight is 212.24. Its systematic name and IUPAC name are the same which is called 1-(2-phenoxyphenyl)ethanone.
Physical properties about Ethanone, 1-(2-phenoxyphenyl)- are: (1)ACD/LogP: 4.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 256; (6)ACD/BCF (pH 7.4): 256; (7)ACD/KOC (pH 5.5): 1843; (8)ACD/KOC (pH 7.4): 1843; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.569; (13)Molar Refractivity: 62.724 cm3; (14)Molar Volume: 191.551 cm3; (15)Surface Tension: 40.62 dyne/cm; (16)Density: 1.108 g/cm3; (17)Flash Point: 131.672 °C; (18)Enthalpy of Vaporization: 55.083 kJ/mol; (19)Boiling Point: 310.029 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c2ccccc2Oc1ccccc1
(2)InChI: InChI=1/C14H12O2/c1-11(15)13-9-5-6-10-14(13)16-12-7-3-2-4-8-12/h2-10H,1H3
(3)InChIKey: KPBCVVSDGJBODL-UHFFFAOYAI