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35193-69-2

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Basic Information
CAS No.: 35193-69-2
Name: (S)-2'-Methoxy-[1,1']binaphthalenyl-2-ol
Article Data: 1
Molecular Structure:
Molecular Structure of 35193-69-2 ((S)-2'-Methoxy-[1,1']binaphthalenyl-2-ol)
Formula: C21H16O2
Molecular Weight: 300.357
Synonyms: [1,1'-Binaphthalen]-2-ol,2'-methoxy-, (S)-;(S)-2-Hydroxy-2'-methoxy-1,1'-binaphthyl;
Density: 1.303 g/cm3
Boiling Point: 529.863oC at 760 mmHg
Flash Point: 274.251oC
PSA: 29.46000
LogP: 5.37420
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Specification

The (S)-2'-Methoxy-[1,1']binaphthalenyl-2-ol, with the CAS registry number 35193-69-2, is also known as (S)-(-)-2-Hydroxy-2'-methoxy-1,1'-binaphthalene. This chemical's molecular formula is C21H16O2 and molecular weight is 300.35. Its systematic name is called (1S)-1-(2-methoxy-1-naphthyl)-1H-naphthalene-2,2-diol.

Physical properties of (S)-2'-Methoxy-[1,1']binaphthalenyl-2-ol: (1)ACD/LogP: 4.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.814; (4)ACD/LogD (pH 7.4): 4.814; (5)ACD/BCF (pH 5.5): 2682.969; (6)ACD/BCF (pH 7.4): 2682.94; (7)ACD/KOC (pH 5.5): 9903.72; (8)ACD/KOC (pH 7.4): 9903.616; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.703; (13)Molar Refractivity: 94.694 cm3; (14)Molar Volume: 244.263 cm3; (15)Surface Tension: 58.879 dyne/cm; (16)Density: 1.303 g/cm3; (17)Flash Point: 274.251 °C; (18)Enthalpy of Vaporization: 84.737 kJ/mol; (19)Boiling Point: 529.863 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2ccccc2c1[C@@H]3c4ccccc4C=CC3(O)O
(2)InChI: InChI=1/C21H18O3/c1-24-18-11-10-14-6-2-4-8-16(14)19(18)20-17-9-5-3-7-15(17)12-13-21(20,22)23/h2-13,20,22-23H,1H3/t20-/m0/s1
(3)InChIKey: AEPDUXIHFGANMH-FQEVSTJZBU