CAS No.193544-62-6,2,3-DIHYDRO-1-INDOLEACETIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	193544-62-6
Name:	2,3-DIHYDRO-1-INDOLEACETIC ACID

Formula:	C₁₀H₁₁NO₂
Molecular Weight:	177.1998
Synonyms:	Dihydro-1H-indol-1-ylacetic acid;
Density:	1.249 g/cm³
Boiling Point:	369.1 °C at 760 mmHg
Flash Point:	177 °C
PSA:	40.54000
LogP:	2.00070

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Specification

The 1H-Indole-1-aceticacid, 2,3-dihydro-, with the CAS registry number 193544-62-6, is also known as 2,3-Dihydro-1H-indol-1-ylacetic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₀H₁₁NO₂ and molecular weight is 177.1998. What's more, its IUPAC name is 2-(2,3-Dihydroindol-1-yl)acetic acid.

Physical properties about 1H-Indole-1-aceticacid, 2,3-dihydro-: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 29.54 Å²; (11)Index of Refraction: 1.596; (12)Molar Refractivity: 48.27 cm³; (13)Molar Volume: 141.7 cm³; (14)Surface Tension: 52.1 dyne/cm; (15)Density: 1.249 g/cm³; (16)Flash Point: 177 °C; (17)Enthalpy of Vaporization: 64.97 kJ/mol; (18)Boiling Point: 369.1 °C at 760 mmHg; (19)Vapour Pressure: 4.23E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CN2c1ccccc1CC2
(2) InChI: InChI=1/C10H11NO2/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11/h1-4H,5-7H2,(H,12,13)
(3) InChIKey: ZYKYVZPUUGVMFE-UHFFFAOYAN