(2,3-Dihydro-1H-indol-3-yl)-acetic acid supplier

Name
(2,3-Dihydro-1H-indol-3-yl)-acetic acid
EINECS
CAS No. 13083-41-5
Density 1.207 g/cm³
Solubility
Melting Point 165-169oC(lit.)
Formula C₁₀H₁₁NO₂
Boiling Point 363.2 °C at 760 mmHg
Molecular Weight 177.203
Flash Point 173.5 °C
Transport Information
Appearance white to tan crystals
Safety
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1H-indole-3-acetic acid, 2,3-dihydro-; 2,3-Dihydro-1H-indol-3-ylacetic acid; 3-Indole acetic acid (IAA)
PSA 49.33000
LogP 1.80840

(2,3-Dihydro-1H-indol-3-yl)-acetic acid Specification

The (2,3-Dihydro-1H-indol-3-yl)-acetic acid, with the CAS registry number of 13083-41-5, is also known as 1H-Indole-3-acetic acid, 2,3-dihydro-. Its molecular formula is C₁₀H₁₁NO₂ and molecular weight is 177.1998. What's more, its systematic name is 2,3-Dihydro-1H-indol-3-ylacetato.

Physical properties about the (2,3-Dihydro-1H-indol-3-yl)-acetic acid are: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.25; (4)ACD/LogD (pH 7.4): -1.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.28; (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: 29.54 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 48.05 cm³; (15)Molar Volume: 146.7 cm³; (16)Surface Tension: 50.9 dyne/cm; (17)Density: 1.207 g/cm³; (18)Flash Point: 173.5 °C; (19)Enthalpy of Vaporization: 64.28 kJ/mol; (20)Boiling Point: 363.2 °C at 760 mmHg; (21)Vapour Pressure: 6.52E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC2c1ccccc1NC2
(2) InChI: InChI=1/C10H11NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,7,11H,5-6H2,(H,12,13)
(3) InChIKey: DHBPCLVYRILLIN-UHFFFAOYAX

Product Name

(2,3-Dihydro-1H-indol-3-yl)-acetic acid

(2,3-Dihydro-1H-indol-3-yl)-acetic acid Specification

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