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161121-02-4

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Basic Information
CAS No.: 161121-02-4
Name: (S)-1-(3,4-DIMETHOXYPHENYL)-2-PROPANOL
Article Data: 6
Molecular Structure:
Molecular Structure of 161121-02-4 ((S)-1-(3,4-DIMETHOXYPHENYL)-2-PROPANOL)
Formula: C11H16O3
Molecular Weight: 196.246
Synonyms: Benzeneethanol,3,4-dimethoxy-a-methyl-,(S)-;
Density: 1.063 g/cm3
Boiling Point: 296.556 °C at 760 mmHg
Flash Point: 133.153 °C
PSA: 38.69000
LogP: 1.62710
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Specification

The Benzeneethanol,3,4-dimethoxy-α-methyl-,(αS)- is an organic compound with the formula C11H16O3. The IUPAC name of this chemical is 1-(3,4-Dimethoxyphenyl)propan-2-ol. With the CAS registry number 161121-02-4, it is also named as (S)-1-(3,4-Dimethoxy-phenyl)-propan-2-ol. Besides, its molecular weight is 196.24.

Physical properties about Benzeneethanol,3,4-dimethoxy-α-methyl-,(αS)- are: (1)ACD/LogP: 1.31; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 38.69 Å2; (6)Index of Refraction: 1.511; (7)Molar Refractivity: 55.286 cm3; (8)Molar Volume: 184.645 cm3; (9)Polarizability: 21.917×10-24 cm3; (10)Surface Tension: 35.627 dyne/cm; (11)Density: 1.063 g/cm3; (12)Flash Point: 133.153 °C; (13)Enthalpy of Vaporization: 56.64 kJ/mol; (14)Boiling Point: 296.556 °C at 760 mmHg; (15)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H16O3/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8,12H,6H2,1-3H3/t8-/m0/s1
(2)InChIKey: KWJDGWGMDAQESJ-QMMMGPOBBI
(3)Std. InChI: InChI=1S/C11H16O3/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8,12H,6H2,1-3H3/t8-/m0/s1
(4)Std. InChIKey: KWJDGWGMDAQESJ-QMMMGPOBSA-N