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33140-80-6

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Basic Information
CAS No.: 33140-80-6
Name: Methyl indole-1-acetate
Article Data: 16
Molecular Structure:
Molecular Structure of 33140-80-6 (Methyl indole-1-acetate)
Formula: C11H11NO2
Molecular Weight: 189.21
Synonyms: Methyl indole-1-acetate;Methyl 1H-indol-1-ylacetate;
Density: 1.13 g/cm3
Boiling Point: 318.6 °C at 760 mmHg
Flash Point: 146.5 °C
PSA: 31.23000
LogP: 1.81430
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Specification

The 1H-Indole-1-acetic acid, methyl ester, with the CAS registry number 33140-80-6, is also known as Methyl indole-1-acetate. This chemical's molecular formula is C11H11NO2 and molecular weight is 189.21. What's more, its systematic name is methyl 1H-indol-1-ylacetate.

Physical properties of 1H-Indole-1-acetic acid, methyl ester are: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 31.23 Å2; (7)Index of Refraction: 1.564; (8)Molar Refractivity: 54.15 cm3; (9)Molar Volume: 166.3 cm3; (10)Polarizability: 21.46×10-24cm3; (11)Surface Tension: 41 dyne/cm; (12)Density: 1.13 g/cm3; (13)Flash Point: 146.5 °C; (14)Enthalpy of Vaporization: 56.01 kJ/mol; (15)Boiling Point: 318.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000358 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)Cn2c1ccccc1cc2
(2)InChI: InChI=1S/C11H11NO2/c1-14-11(13)8-12-7-6-9-4-2-3-5-10(9)12/h2-7H,8H2,1H3
(3)InChIKey: FSWMODFYWAQRFP-UHFFFAOYSA-N