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| CAS No.: | 13330-65-9 |
|---|---|
| Name: | 2,4-Dimethoxyphenol |
| Molecular Structure: | |
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| Formula: | C8H10O3 |
| Molecular Weight: | 154.166 |
| Synonyms: | 2,4-Dimethoxyphenol;3-Methoxy-4-hydroxyanisole; |
| Density: | 1.134 g/cm3 |
| Melting Point: | 28 °C |
| Boiling Point: | 268.4 °C at 760 mmHg |
| Flash Point: | 116.1 °C |
| PSA: | 38.69000 |
| LogP: | 1.40940 |
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Specification
The systematic name of 2,4-Dimethoxyphenol is 2,4-Dimethoxyphenol. With the CAS registry number 13330-65-9, it is also named as 3-Methoxy-4-hydroxyanisole. In addition, its molecular formula is C8H10O3 and its molecular weight is 154.16.
The other characteristics of 2,4-Dimethoxyphenol can be summarized as: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4): 0.89; (5)ACD/BCF (pH 5.5): 2.82; (6)ACD/BCF (pH 7.4): 2.81; (7)ACD/KOC (pH 5.5): 73.03; (8)ACD/KOC (pH 7.4): 72.97; (9)H bond acceptors: 3; (10)H bond donors: 1; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 41.49 cm3; (15)Molar Volume: 135.8 cm3; (16)Polarizability: 16.44×10-24cm3; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 1.134 g/cm3; (19)Flash Point: 116.1 °C; (20)Enthalpy of Vaporization: 52.69 kJ/mol; (21)Boiling Point: 268.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00466 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:Oc1ccc(OC)cc1OC
(2)InChI:InChI=1/C8H10O3/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5,9H,1-2H3
(3)InChIKey:MNVMYTVDDOXZLS-UHFFFAOYAQ
(4)Std. InChI:InChI=1S/C8H10O3/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5,9H,1-2H3
(5)Std. InChIKey:MNVMYTVDDOXZLS-UHFFFAOYSA-N