CAS No.52531-12-1,5-ETHYLINDOLE-3-ACETIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52531-12-1
Name:	5-ETHYLINDOLE-3-ACETIC ACID

Formula:	C₁₂H₁₃NO₂
Molecular Weight:	203.24
Synonyms:	2-(5-Ethyl-1H-indol-3-yl)acetic acid;5-Ethylindole-3-acetic acid;
Density:	1.254 g/cm³
Boiling Point:	425.593 °C at 760 mmHg
Flash Point:	211.192 °C
PSA:	53.09000
LogP:	2.35740

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Specification

The 1H-Indole-3-aceticacid, 5-ethyl-, with the CAS registry number 52531-12-1, is also known as 5-Ethylindole-3-acetic acid. It belongs to the product categories of Indoles and derivatives; Pharmacetical. This chemical's molecular formula is C₁₂H₁₃NO₂ and molecular weight is 203.24. What's more, its systematic name is (5-ethyl-1H-indol-3-yl)acetic acid.

Physical properties of 1H-Indole-3-aceticacid, 5-ethyl- are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/BCF (pH 5.5): 8; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 98; (7)ACD/KOC (pH 7.4): 2; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 53.09 Å²; (12)Index of Refraction: 1.651; (13)Molar Refractivity: 59.192 cm³; (14)Molar Volume: 162.132 cm³; (15)Polarizability: 23.465×10^-24cm³; (16)Surface Tension: 57.107 dyne/cm; (17)Density: 1.254 g/cm³; (18)Flash Point: 211.192 °C; (19)Enthalpy of Vaporization: 71.713 kJ/mol; (20)Boiling Point: 425.593 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)Cc2cnc1ccc(cc12)CC
(2)Std. InChI: InChI=1S/C12H13NO2/c1-2-8-3-4-11-10(5-8)9(7-13-11)6-12(14)15/h3-5,7,13H,2,6H2,1H3,(H,14,15)
(3)Std. InChIKey: ZWXOHBRBIAQHFP-UHFFFAOYSA-N