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40756-70-5

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Basic Information
CAS No.: 40756-70-5
Name: 3-(1H-INDOL-2-YL)-PHENOL
Molecular Structure:
Molecular Structure of 40756-70-5 (3-(1H-INDOL-2-YL)-PHENOL)
Formula: C14H11NO
Molecular Weight: 209.24
Synonyms: 2-(3-Hydroxyphenyl)indole;
Density: 1.263 g/cm3
Melting Point: 162-163 °C(Solv: benzene (71-43-2))
Boiling Point: 470.9 °C at 760 mmHg
Flash Point: 238.6 °C
Hazard Symbols: IrritantXi
PSA: 36.02000
LogP: 3.54050
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Specification

The Phenol,3-(1H-indol-2-yl)- is an organic compound with the formula C14H11NO. The systematic name of this chemical is 3-(1H-indol-2-yl)phenol. With the CAS registry number 40756-70-5, it is also named as 2-(3-Hydroxyphenyl)-1H-indole. The product's category is Pharmacetical.

Physical properties about Phenol,3-(1H-indol-2-yl)- are: (1)ACD/LogP: 3.93; (2)ACD/LogD (pH 5.5): 3.93; (3)ACD/LogD (pH 7.4): 3.93; (4)ACD/BCF (pH 5.5): 571.2; (5)ACD/BCF (pH 7.4): 570.3; (6)ACD/KOC (pH 5.5): 3272.74; (7)ACD/KOC (pH 7.4): 3267.57; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 14.16 Å2; (12)Index of Refraction: 1.714; (13)Molar Refractivity: 65 cm3; (14)Molar Volume: 165.5 cm3; (15)Polarizability: 25.76×10-24cm3; (16)Surface Tension: 59 dyne/cm; (17)Density: 1.263 g/cm3; (18)Flash Point: 238.6 °C; (19)Enthalpy of Vaporization: 76.16 kJ/mol; (20)Boiling Point: 470.9 °C at 760 mmHg; (21)Vapour Pressure: 1.72E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc3cccc(c2cc1ccccc1n2)c3
(2)InChI: InChI=1/C14H11NO/c16-12-6-3-5-10(8-12)14-9-11-4-1-2-7-13(11)15-14/h1-9,15-16H
(3)InChIKey: NEHVUPZZAIICMZ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C14H11NO/c16-12-6-3-5-10(8-12)14-9-11-4-1-2-7-13(11)15-14/h1-9,15-16H
(5)Std. InChIKey: NEHVUPZZAIICMZ-UHFFFAOYSA-N