4-(5'-Indole)benzoic acid supplier

Name
4-(5'-Indole)benzoic acid
EINECS
CAS No. 886363-18-4
Density 1.32 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₁NO₂
Boiling Point 502.9 °C at 760 mmHg
Molecular Weight 237.258
Flash Point 257.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(1H-Indol-5-yl)benzoic acid;Benzoic acid, 4-(1H-indol-5-yl)-;
PSA 53.09000
LogP 3.53310

4-(5'-Indole)benzoic acid Specification

This chemical is called 4-(5'-Indole)benzoic acid, and its systematic name is 4-(1H-indol-5-yl)benzoic acid. With the molecular formula of C₁₅H₁₁NO₂, its molecular weight is 237.26. The CAS registry number of this chemical is 886363-18-4.

Other characteristics of the 4-(5'-Indole)benzoic acid can be summarised as followings: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.49; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 23.72; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 154.34; (8)ACD/KOC (pH 7.4): 3.73; (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: 1.707; (14) Molar Refractivity: 70.05 cm³; (15)Molar Volume: 179.6 cm³; (16)Polarizability: 27.77×10^-24cm³; (17)Surface Tension: 62.9 dyne/cm; (18)Density: 1.32 g/cm³; (19)Flash Point: 257.9 °C; (20)Enthalpy of Vaporization: 81.29 kJ/mol; (21)Boiling Point: 502.9 °C at 760 mmHg; (22)Vapour Pressure: 6.22E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c3ccc(c1cc2c(cc1)ncc2)cc3
2.InChI: InChI=1/C15H11NO2/c17-15(18)11-3-1-10(2-4-11)12-5-6-14-13(9-12)7-8-16-14/h1-9,16H,(H,17,18)
3.InChIKey: SWOGZDRHFZTAMW-UHFFFAOYAC

Product Name

4-(5'-Indole)benzoic acid

4-(5'-Indole)benzoic acid Specification

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