Name: 1H-Indole-6-aceticacid(9CI)
SKU: 39689-58-2

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Basic Information

Molecular Structure:
CAS No.:	39689-58-2
Name:	1H-Indole-6-aceticacid(9CI)
Article Data:	4

Formula:	C₁₀H₉NO₂
Molecular Weight:	175.187
Synonyms:	1H-Indol-6-ylacetic acid;2-(1H-Indol-6-yl)acetic acid;
Density:	1.355 g/cm³
Boiling Point:	415.03 °C at 760 mmHg
Flash Point:	204.803 °C
PSA:	53.09000
LogP:	1.79500

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Specification

The 1H-Indole-6-acetic acid, with the CAS registry number 39689-58-2, is also known as 2-(1H-Indol-6-yl)acetic acid. It belongs to the product category of Indole. This chemical's molecular formula is C₁₀H₉NO₂ and molecular weight is 175.06. What's more, its systematic name is called 1H-Indol-6-ylacetic acid.

Physical properties about 1H-Indole-6-acetic acid are: (1)ACD/LogP: 1.429; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.32; (4)ACD/LogD (pH 7.4): -1.48; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 10.97; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 53.09 Å²; (13)Index of Refraction: 1.693; (14)Molar Refractivity: 49.642 cm³; (15)Molar Volume: 129.315 cm³; (16)Polarizability: 19.68×10^-24cm³; (17)Surface Tension: 66.37 dyne/cm; (18)Density: 1.355 g/cm³; (19)Flash Point: 204.803 °C; (20)Enthalpy of Vaporization: 70.436 kJ/mol; (21)Boiling Point: 415.03 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)Cc1ccc2ccnc2c1
(2) InChI: InChI=1S/C10H9NO2/c12-10(13)6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H,6H2,(H,12,13)
(3) InChIKey: SWFCZJVRWYZLPW-UHFFFAOYSA-N