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14950-55-1

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Basic Information
CAS No.: 14950-55-1
Name: 1-(3,5-Dimethoxyphenyl)ethanol
Article Data: 11
Molecular Structure:
Molecular Structure of 14950-55-1 (1-(3,5-Dimethoxyphenyl)ethanol)
Formula: C10H14O3
Molecular Weight: 182.219
Synonyms: 4-Cyano-N-(4-hydroxyphenyl)benzamide;
Density: 1.081 g/cm3
Boiling Point: 298.786 °C at 760 mmHg
Flash Point: 134.502 °C
PSA: 38.69000
LogP: 1.75710
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Specification

The Benzenemethanol, 3,5-dimethoxy-a-methyl-, with the CAS registry number 14950-55-1, is also known as 4-Cyano-N-(4-hydroxyphenyl)benzamide. This chemical's molecular formula is C10H14O3 and molecular weight is 182.09. What's more, its systematic name is called 1-(3,5-Dimethoxyphenyl)ethanol.

Physical properties about Benzenemethanol, 3,5-dimethoxy-a-methyl- are: (1)ACD/LogP: 1.093; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09 ; (4)ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 3.99; (6)ACD/BCF (pH 7.4): 3.99; (7)ACD/KOC (pH 5.5): 93.67; (8)ACD/KOC (pH 7.4): 93.67; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.69 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 50.697 cm3; (15)Molar Volume: 168.51 cm3; (16)Polarizability: 20.098×10-24 cm3; (17)Surface Tension: 35.94 dyne/cm; (18)Density: 1.081 g/cm3; (19)Flash Point: 134.502 °C; (20)Enthalpy of Vaporization: 56.89 kJ/mol; (21)Boiling Point: 298.786 °C at 760 mmHg; (22)Vapour Pressure: 0.0010 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1cc(cc(OC)c1)C(O)C)C
(2) InChI: InChI=1S/C10H14O3/c1-7(11)8-4-9(12-2)6-10(5-8)13-3/h4-7,11H,1-3H3
(3) InChIKey: PZBLFTYDFZODAW-UHFFFAOYSA-N