5-Methylindole-3-acetic acid supplier

Name
5-METHYLINDOLE-3-ACETIC ACID
EINECS
CAS No. 1912-47-6
Article Data10
CAS DataBase
Density 1.299 g/cm³
Solubility
Melting Point 151 °C
Formula C₁₁H₁₁NO₂
Boiling Point 420.8 °C at 760 mmHg
Molecular Weight 189.214
Flash Point 208.3 °C
Transport Information
Appearance
Safety
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(5-Methyl-1H-indol-3-yl)acetic acid;5-Methyl-3-indoleacetic acid;(5-Methyl-1H-indol-3-yl)acetic acid;
PSA 53.09000
LogP 2.10340

5-Methylindole-3-acetic acid Specification

The 1H-Indole-3-aceticacid, 5-methyl-, with the CAS registry number 1912-47-6, is also known as 2-(5-Methyl-1H-indol-3-yl)acetic acid. It belongs to the product categories of Indoles and derivatives; Pharmacetical. This chemical's molecular formula is C₁₁H₁₁NO₂ and molecular weight is 189.21. What's more, its systematic name is (5-methyl-1H-indol-3-yl)acetic acid.

Physical properties of 1H-Indole-3-aceticacid, 5-methyl- are: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.19; (4)ACD/BCF (pH 5.5): 3.23; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 50.99; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 31.23 Å²; (12)Index of Refraction: 1.671; (13)Molar Refractivity: 54.46 cm³; (14)Molar Volume: 145.5 cm³; (15)Polarizability: 21.59×10^-24cm³; (16)Surface Tension: 60.9 dyne/cm; (17)Density: 1.299 g/cm³; (18)Flash Point: 208.3 °C; (19)Enthalpy of Vaporization: 71.13 kJ/mol; (20)Boiling Point: 420.8 °C at 760 mmHg; (21)Vapour Pressure: 7.83E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc2c1cc(ccc1nc2)C
(2)Std. InChI: InChI=1S/C11H11NO2/c1-7-2-3-10-9(4-7)8(6-12-10)5-11(13)14/h2-4,6,12H,5H2,1H3,(H,13,14)
(3)Std. InChIKey: VYFDKXJAORBSAW-UHFFFAOYSA-N

Product Name

5-METHYLINDOLE-3-ACETIC ACID

5-Methylindole-3-acetic acid Specification

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