Name: 3-cyclohexylindole-6-carboxylicacid
SKU: 494799-17-6

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Basic Information

Molecular Structure:
CAS No.:	494799-17-6
Name:	3-cyclohexylindole-6-carboxylicacid
Article Data:	16

Formula:	C₁₅H₁₇NO₂
Molecular Weight:	243.305
Synonyms:	3-Cyclohexyl-1H-indole-6-carboxylicacid;3-Cyclohexyl-6-indolecarboxylic acid;
Density:	1.243 g/cm³
Boiling Point:	486.3 °C at 760 mmHg
Flash Point:	247.9 °C
PSA:	53.09000
LogP:	3.91380

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Specification

This chemical is called 1H-Indole-6-carboxylic acid, 3-cyclohexyl-, and its systematic name is 3-cyclohexyl-1H-indole-6-carboxylic acid. With the molecular formula of C₁₅H₁₇NO₂, its molecular weight is 243.30. The CAS registry number of this chemical is 494799-17-6.

Other characteristics of the 1H-Indole-6-carboxylic acid, 3-cyclohexyl- can be summarised as followings: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 93.57; (6)ACD/BCF (pH 7.4): 2.09; (7)ACD/KOC (pH 5.5): 437.54; (8)ACD/KOC (pH 7.4): 9.79; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 71.32 cm³; (15)Molar Volume: 195.6 cm³; (16)Polarizability: 28.27×10^-24cm³; (17)Surface Tension: 57.7 dyne/cm; (18)Density: 1.243 g/cm³; (19)Flash Point: 247.9 °C; (20)Enthalpy of Vaporization: 79.2 kJ/mol; (21)Boiling Point: 486.3 °C at 760 mmHg; (22)Vapour Pressure: 2.87E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1ccc2c(c1)ncc2C3CCCCC3
2.InChI: InChI=1/C15H17NO2/c17-15(18)11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10/h6-10,16H,1-5H2,(H,17,18)
3.InChIKey: OZJSQVKDKOOQIT-UHFFFAOYAQ