1H-Indole-3-butanoicacid, potassium salt (1:1) (60096-23-3)

The 1H-Indole-3-butanoicacid, potassium salt (1:1), with the CAS registry number 60096-23-3, has the IUPAC name of potassium 4-(1H-indol-3-yl)butanoate. Its product categories are including Indoles and derivatives. When you are using this chemical, you should avoid contacting with skin and eyes and do remember not breathe dust.

The physical properties of this chemical are as follows: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 42.23; (7)Flash Point: 211.8 °C; (8)Enthalpy of Vaporization: 71.83 kJ/mol; (9)Boiling Point: 426.6 °C at 760 mmHg; (10)Vapour Pressure: 4.9E-08 mmHg at 25°C; (11)Exact Mass: 241.050511; (12)MonoIsotopic Mass: 241.050511; (13)Topological Polar Surface Area: 55.9; (14)Heavy Atom Count: 16; (15)Complexity: 235.

Additionally, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CCCC(=O)[O-].[K+]
(2)InChI: InChI=1S/C12H13NO2.K/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11;/h1-2,5-6,8,13H,3-4,7H2,(H,14,15);/q;+1/p-1
(3)InChIKey: KTWDHJYSJOSTSJ-UHFFFAOYSA-M