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74447-40-8

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Basic Information
CAS No.: 74447-40-8
Name: 4-(2,2-DIMETHOXY-ETHYL)-PHENOL
Article Data: 1
Molecular Structure:
Molecular Structure of 74447-40-8 (4-(2,2-DIMETHOXY-ETHYL)-PHENOL)
Formula: C10H14O3
Molecular Weight: 182.219
Synonyms: 4-(2,2-Dimethoxyethyl)phenol;4-(2,2-dimethoxyethyl)phenol;
Density: 1.092 g/cm3
Boiling Point: 257.5 °C at 760 mmHg
Flash Point: 109.6 °C
PSA: 38.69000
LogP: 1.55360
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Specification

The Phenol,4-(2,2-dimethoxyethyl)-, with the CAS registry number 74447-40-8, has the systematic name of 4-(2,2-dimethoxyethyl)phenol. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C10H14O3.

The characteristics of Phenol,4-(2,2-dimethoxyethyl)- are as followings: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 6.11; (6)ACD/BCF (pH 7.4): 6.1; (7)ACD/KOC (pH 5.5): 127.21; (8)ACD/KOC (pH 7.4): 126.96; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.69 Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 50.39 cm3; (15)Molar Volume: 166.7 cm3; (16)Polarizability: 19.97×10-24cm3; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.092 g/cm3; (19)Flash Point: 109.6 °C; (20)Enthalpy of Vaporization: 51.51 kJ/mol; (21)Boiling Point: 257.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00898 mmHg at 25°C.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1ccc(CC(OC)OC)cc1
(2)InChI: InChI=1/C10H14O3/c1-12-10(13-2)7-8-3-5-9(11)6-4-8/h3-6,10-11H,7H2,1-2H3
(3)InChIKey: VQEKICSZPWLCNF-UHFFFAOYAN