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CAS No.: | 2338-19-4 |
---|---|
Name: | 3-INDOLEACETIC ACID POTASSIUM SALT |
Molecular Structure: | |
Formula: | C10H8KNO2 |
Molecular Weight: | 213.27 |
Synonyms: | Iaak; |
EINECS: | 219-049-6 |
Boiling Point: | 415 °C at 760 mmHg |
Flash Point: | 204.8 °C |
Solubility: | almost transparency |
Hazard Symbols: | Xi |
Risk Codes: | R36/37/38 |
PSA: | 55.92000 |
LogP: | 0.46030 |
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The 1H-Indole-3-aceticacid, potassium salt (1:1), with the CAS registry number of 2338-19-4, is also known as Iaak. It belongs to the product categories of Auxins; Biochemistry; Classes of Metal Compounds; Indoles; K (Potassium) Compounds (excluding simple potassium salts); Plant Growth Regulators; Simple Indoles; Typical Metal Compounds. Its EINECS registry number is 219-049-6. This chemical's molecular formula is C10H8KNO2 and molecular weight is 213.27. What's more, its systematic name is Potassium 1H-indol-3-ylacetate.
Physical properties about the 1H-Indole-3-aceticacid, potassium salt (1:1) are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): -1.09; (5)ACD/BCF (pH 5.5): 1.32; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.26; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.23 Å2; (13)Flash Point: 204.8 °C; (14)Enthalpy of Vaporization: 70.44 kJ/mol; (15)Boiling Point: 415 °C at 760 mmHg; (16)Vapour Pressure: 1.24E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [K+].[O-]C(=O)Cc2c1ccccc1nc2
(2) InChI: InChI=1/C10H9NO2.K/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9;/h1-4,6,11H,5H2,(H,12,13);/q;+1/p-1
(3) InChIKey: MLWMEUAQPRACHM-REWHXWOFAD