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| CAS No.: | 708-53-2 |
|---|---|
| Name: | 2,3-DIHYDROXY-4-METHOXYACETOPHENONE |
| Molecular Structure: | |
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| Formula: | C9H10O4 |
| Molecular Weight: | 182.176 |
| Synonyms: | Acetophenone,2',3'-dihydroxy-4'-methoxy- (6CI,7CI,8CI);2,3-Dihydroxy-4-methoxyacetophenone;Gallacetophenone 4-O-methyl ether;NSC 46636; |
| Density: | 1.284 g/cm3 |
| Melting Point: | 133 °C |
| Boiling Point: | 359.6 °C at 760 mmHg |
| Flash Point: | 147.7 °C |
| PSA: | 66.76000 |
| LogP: | 1.30900 |
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Specification
The Ethanone,1-(2,3-dihydroxy-4-methoxyphenyl)-, with the CAS registry number 708-53-2, is also known as 2,3-Dihydroxy-4-methoxyacetophenone. It belongs to the product category of Aromatic Acetophenones & Derivatives (substituted). This chemical's molecular formula is C9H10O4 and molecular weight is 182.17. What's more, both its IUPAC name and systematic name are the same which is called 1-(2,3-Dihydroxy-4-methoxyphenyl)ethanone.
Physical properties about Ethanone,1-(2,3-dihydroxy-4-methoxyphenyl)- are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.79; (5)ACD/BCF (pH 5.5): 13.88; (6)ACD/BCF (pH 7.4): 13.46; (7)ACD/KOC (pH 5.5): 228.77; (8)ACD/KOC (pH 7.4): 221.7; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 46.72 cm3; (15)Molar Volume: 141.8 cm3; (16)Surface Tension: 51 dyne/cm; (17)Density: 1.284 g/cm3; (18)Flash Point: 147.7 °C; (19)Enthalpy of Vaporization: 62.91 kJ/mol; (20)Boiling Point: 359.6 °C at 760 mmHg; (21)Vapour Pressure: 1.13E-05 mmHg at 25 °C.
Preparation of Ethanone,1-(2,3-dihydroxy-4-methoxyphenyl)-: this chemical can be prepared by 1-(2,3,4-Trimethoxy-phenyl)-ethanone. This reaction needs reagent BCl3 and solvent CH2Cl2 at ambient temperature. The yield is 77 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1c(O)c(O)c(OC)cc1)C
(2) InChI: InChI=1/C9H10O4/c1-5(10)6-3-4-7(13-2)9(12)8(6)11/h3-4,11-12H,1-2H3
(3) InChIKey: VCONERRCKOKCHE-UHFFFAOYAQ