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CAS No.: | 703-98-0 |
---|---|
Name: | 1-(2-hydroxy-3-methoxy-phenyl)ethanone |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C9H10O3 |
Molecular Weight: | 166.177 |
Synonyms: | 1-(2-Hydroxy-3-methoxyphenyl)ethanone;2'-Hydroxy-3'-methoxyacetophenone;NSC 46634;Acetophenone,2'-hydroxy-3'-methoxy- (7CI,8CI);1-(2-hydroxy-3-methoxyphenyl)ethanone;ethanone, 1-(2-hydroxy-3-methoxyphenyl)-; |
Density: | 1.158 g/cm3 |
Melting Point: | 54 °C |
Boiling Point: | 247.2 °C at 760 mmHg |
Flash Point: | 95.1 °C |
PSA: | 46.53000 |
LogP: | 1.60340 |
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The Ethanone,1-(2-hydroxy-3-methoxyphenyl)-, with the CAS registry number 703-98-0, has the systematic name and IUPAC name of 1-(2-hydroxy-3-methoxyphenyl)ethanone. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H10O3.
The characteristics of Ethanone,1-(2-hydroxy-3-methoxyphenyl)- are as followings: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.22; (6)ACD/BCF (pH 7.4): 17.19; (7)ACD/KOC (pH 5.5): 266.94; (8)ACD/KOC (pH 7.4): 266.49; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 44.84 cm3; (15)Molar Volume: 143.3 cm3; (16)Polarizability: 17.77×10-24cm3; (17)Surface Tension: 41.5 dyne/cm; (18)Density: 1.158 g/cm3; (19)Flash Point: 95.1 °C; (20)Enthalpy of Vaporization: 50.39 kJ/mol; (21)Boiling Point: 247.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0166 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1cccc(OC)c1O)C
(2)InChI: InChI=1/C9H10O3/c1-6(10)7-4-3-5-8(12-2)9(7)11/h3-5,11H,1-2H3
(3)InChIKey: VZEOJJIAYZCDPI-UHFFFAOYAG