97% Purity Peptides Steroids Cas 17449-76-2 Methyl 4 Hydroxycyclohexanecarboxylate

The Cyclohexanecarboxylicacid, 4-hydroxy-, methyl ester, with the CAS registry number 17449-76-2 and EINECS registry number 241-464-6, has the systematic name of methyl 4-hydroxycyclohexanecarboxylate. It belongs to the following product categories: Pharmacetical; Esters; Ring Systems. And the molecular formula of the chemical is C₈H₁₄O₃.

The characteristics of Cyclohexanecarboxylicacid, 4-hydroxy-, methyl ester are as followings:

(1) ACD/LogP: 0.53;

(2) # of Rule of 5 Violations: 0;

(3) ACD/LogD (pH 5.5): 0.53;

(4) ACD/LogD (pH 7.4): 0.53;

(5) ACD/BCF (pH 5.5): 1.49;

(6) ACD/BCF (pH 7.4): 1.49;

(7) ACD/KOC (pH 5.5): 46.3;

(8) ACD/KOC (pH 7.4): 46.3;

(9) #H bond acceptors: 3;

(10) #H bond donors: 1;

(11) #Freely Rotating Bonds: 3;

(12) Polar Surface Area: 35.53 Ų;

(13) Index of Refraction: 1.481;

(14) Molar Refractivity: 40.21 cm³;

(15) Molar Volume: 141 cm³;

(16) Polarizability: 15.94×10^-24cm³;

(17) Surface Tension: 42 dyne/cm;

(18) Density: 1.121 g/cm³;

(19) Flash Point: 93.5 °C;

(20) Enthalpy of Vaporization: 54.63 kJ/mol;

(21) Boiling Point: 233.3 °C at 760 mmHg;

(22) Vapour Pressure: 0.0105 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1) SMILES: O=C(OC)C1CCC(O)CC1
(2) InChI: InChI=1/C8H14O3/c1-11-8(10)6-2-4-7(9)5-3-6/h6-7,9H,2-5H2,1H3
(3) InChIKey: HYDYVXROZHFTGB-UHFFFAOYAP