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60096-23-3

Basic Information
CAS No.: 60096-23-3
Name: 1H-Indole-3-butanoicacid, potassium salt (1:1)
Molecular Structure:
Molecular Structure of 60096-23-3 (1H-Indole-3-butanoicacid, potassium salt (1:1))
Formula: C12H13NO2. K
Molecular Weight: 241.33
Synonyms: 1H-Indole-3-butanoicacid, monopotassium salt (9CI);3-Indolebutyric acid potassium salt;IBA Ksalt;IBA potassium salt;
EINECS: 691-783-3
Density: N/A
Melting Point: N/A
Boiling Point: 426.6 ºC at 760 mmHg
Flash Point: 211.8 ºC
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety: 22-24/25
Transport Information: N/A
PSA: 55.92000
LogP: 1.24050
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    indole-3-butyric acid potassiumAppearance:solid or liquid Storage:in sealed air resistant place Package:drum and bag Application:for pharma use Transportation:by sea or air

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Specification

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