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27689-95-8

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Basic Information
CAS No.: 27689-95-8
Name: TRIMETHYL 4-HYDROXYORTHOBENZOATE
Molecular Structure:
Molecular Structure of 27689-95-8 (TRIMETHYL 4-HYDROXYORTHOBENZOATE)
Formula: C10H14O4
Molecular Weight: 198.219
Synonyms: Orthobenzoicacid, p-hydroxy-, trimethyl ester (8CI);
Density: 1.141 g/cm3
Boiling Point: 256.9 °C at 760 mmHg
Flash Point: 109.2 °C
PSA: 47.92000
LogP: 1.44170
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    Trimethyl 4-hydroxyorthobenzoate

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Specification

This chemical is called Phenol, 4-(trimethoxymethyl)-, and its systematic name is 4-(trimethoxymethyl)phenol. With the molecular formula of C10H14O4, its molecular weight is 198.22. The CAS registry number of this chemical is 27689-95-8. Additionally, its product category is Pharmacetical.

Other characteristics of the Phenol, 4-(trimethoxymethyl)- can be summarised as followings: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.97; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 47.92 Å2; (9)Index of Refraction: 1.507; (10)Molar Refractivity: 51.75 cm3; (11)Molar Volume: 173.6 cm3; (12)Polarizability: 20.51×10-24cm3; (13)Surface Tension: 37.3 dyne/cm; (14)Density: 1.141 g/cm3; (15)Flash Point: 109.2 °C; (16)Enthalpy of Vaporization: 51.44 kJ/mol; (17)Boiling Point: 256.9 °C at 760 mmHg; (18)Vapour Pressure: 0.00931 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Oc1ccc(cc1)C(OC)(OC)OC
2.InChI: InChI=1/C10H14O4/c1-12-10(13-2,14-3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
3.InChIKey: WHGXSKFFMXAIHA-UHFFFAOYAN