Benzeneacetic acid,4-(1H-indol-5-yl)- supplier

Name
4-(5'-INDOLE)PHENYL ACETIC ACID
EINECS
CAS No. 886363-28-6
Article Data2
CAS DataBase
Density 1.291 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₃NO₂
Boiling Point 513.6 °C at 760 mmHg
Molecular Weight 251.285
Flash Point 264.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [4-(1H-Indol-5-yl)phenyl]acetic acid;4-(5'-Indole)phenyl acetic acid;
PSA 53.09000
LogP 3.46200

Benzeneacetic acid,4-(1H-indol-5-yl)- Specification

This chemical is called Benzeneacetic acid, 4-(1H-indol-5-yl)-, and its systematic name is 2-[4-(1H-indol-5-yl)phenyl]acetic acid. With the molecular formula of C₁₆H₁₃NO₂, its molecular weight is 251.28. The CAS registry number of this chemical is 886363-28-6.

Other characteristics of the Benzeneacetic acid, 4-(1H-indol-5-yl)- can be summarised as followings: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 0.22 ; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 53.09 Å²; (9)Index of Refraction: 1.688; (10)Molar Refractivity: 74.23 cm³; (11)Molar Volume: 194.5 cm³; (12)Polarizability: 29.42×10^-24cm³; (13)Surface Tension: 60.3 dyne/cm; (14)Density: 1.291 g/cm³; (15)Flash Point: 264.4 °C; (16)Enthalpy of Vaporization: 82.66 kJ/mol; (17)Boiling Point: 513.6 °C at 760 mmHg; (18)Vapour Pressure: 2.25E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OC(=O)Cc1ccc(cc1)c2cc3ccnc3cc2
2.InChI: InChI=1/C16H13NO2/c18-16(19)9-11-1-3-12(4-2-11)13-5-6-15-14(10-13)7-8-17-15/h1-8,10,17H,9H2,(H,18,19)
3.InChIKey: JRARVAPNPWWPIN-UHFFFAOYAI

Product Name

4-(5'-INDOLE)PHENYL ACETIC ACID

Benzeneacetic acid,4-(1H-indol-5-yl)- Specification

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