1H-Indole-3-aceticacid, 5-ethoxy-2-methyl- supplier

Name
2-(5-ethoxy-2-methyl-1H-indol-3-yl)acetic acid
EINECS
CAS No. 34024-46-9
Density 1.253 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₅NO₃
Boiling Point 455.9 °C at 760 mmHg
Molecular Weight 233.26
Flash Point 229.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indole-3-aceticacid, 5-ethoxy-2-methyl- (8CI);NSC 22873;(5-Ethoxy-2-methyl-1H-indol-3-yl)acetic acid;2-(5-Ethoxy-2-methylindol-3-yl)acetic acid;
PSA 62.32000
LogP 2.50210

1H-Indole-3-aceticacid, 5-ethoxy-2-methyl- Specification

The 1H-Indole-3-aceticacid, 5-ethoxy-2-methyl-, with the CAS registry number 34024-46-9, is also known as (5-Ethoxy-2-methyl-1H-indol-3-yl)acetic acid. This chemical's molecular formula is C₁₃H₁₅NO₃ and molecular weight is 233.26. What's more, its IUPAC name is 2-(5-ethoxy-2-methyl-1H-indol-3-yl)acetic acid.

Physical properties of 1H-Indole-3-aceticacid, 5-ethoxy-2-methyl- are: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/BCF (pH 5.5): 3.85; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 48.73; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 40.46 Å²; (12)Index of Refraction: 1.624; (13)Molar Refractivity: 65.77 cm³; (14)Molar Volume: 186 cm³; (15)Polarizability: 26.07×10^-24cm³; (16)Surface Tension: 53.4 dyne/cm; (17)Density: 1.253 g/cm³; (18)Flash Point: 229.5 °C; (19)Enthalpy of Vaporization: 75.43 kJ/mol; (20)Boiling Point: 455.9 °C at 760 mmHg; (21)Vapour Pressure: 4.18E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C
(2)InChI: InChI=1S/C13H15NO3/c1-3-17-9-4-5-12-11(6-9)10(7-13(15)16)8(2)14-12/h4-6,14H,3,7H2,1-2H3,(H,15,16)
(3)InChIKey: UTQVPTYRFOINMB-UHFFFAOYSA-N

Product Name

2-(5-ethoxy-2-methyl-1H-indol-3-yl)acetic acid

1H-Indole-3-aceticacid, 5-ethoxy-2-methyl- Specification

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