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

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Name

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

EINECS 691-783-3
CAS No. 60096-23-3 Density N/A
PSA 55.92000 LogP 1.24050
Solubility N/A Melting Point N/A
Formula C12H13NO2. K Boiling Point 426.6 ºC at 760 mmHg
Molecular Weight 241.33 Flash Point 211.8 ºC
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 60096-23-3 (INDOLE-3-BUTYRIC ACID POTASSIUM SALT) Hazard Symbols N/A
Synonyms

1H-Indole-3-butanoicacid, monopotassium salt (9CI);3-Indolebutyric acid potassium salt;IBA Ksalt;IBA potassium salt;

 

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

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