CAS No.2971-31-5,2-oxindole-3-acetic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2971-31-5
Name:	2-oxindole-3-acetic acid

Formula:	C₁₀H₉NO₃
Molecular Weight:	191.186
Synonyms:	2-(2-Oxoindolin-3-yl)acetic acid;2-Oxindole-3-acetic acid;(2-Oxo-3-indolyl)-aceticacid;(2-Oxo-2,3-dihydro-1H-indol-3-yl)acetic acid;
Density:	1.334 g/cm³
Melting Point:	218-219 °C
Boiling Point:	445.2 °C at 760 mmHg
Flash Point:	223 °C
PSA:	66.40000
LogP:	1.33500

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Specification

The 1H-Indole-3-aceticacid, 2,3-dihydro-2-oxo-, with the CAS registry number 2971-31-5, is also known as 2-Oxindole-3-acetic acid. This chemical's molecular formula is C₁₀H₉NO₃ and molecular weight is 191.19. What's more, its systematic name is (2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid.

Physical properties of 1H-Indole-3-aceticacid, 2,3-dihydro-2-oxo- are: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.63; (4)ACD/LogD (pH 7.4): -2.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.71; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 48.18 cm³; (15)Molar Volume: 143.2 cm³; (16)Polarizability: 19.1×10^-24cm³; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.334 g/cm³; (19)Flash Point: 223 °C; (20)Enthalpy of Vaporization: 74.1 kJ/mol; (21)Boiling Point: 445.2 °C at 760 mmHg; (22)Vapour Pressure: 1.05E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC2c1ccccc1NC2=O
(2)Std. InChI: InChI=1S/C10H9NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4,7H,5H2,(H,11,14)(H,12,13)
(3)Std. InChIKey: ILGMGHZPXRDCCS-UHFFFAOYSA-N