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27798-66-9

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Basic Information
CAS No.: 27798-66-9
Name: Methyl-5-methoxyindole-2-acetate
Article Data: 1
Molecular Structure:
Molecular Structure of 27798-66-9 (Methyl-5-methoxyindole-2-acetate)
Formula: C12H13NO3
Molecular Weight: 219.24
Synonyms: Indole-2-aceticacid, 5-methoxy-, methyl ester (8CI);
Density: 1.226 g/cm3
Boiling Point: 379.7 °C at 760 mmHg
Flash Point: 183.4 °C
PSA: 51.32000
LogP: 1.89200
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Specification

The 1H-Indole-2-aceticacid, 5-methoxy-, methyl ester, with the CAS registry number 27798-66-9, is also known as Methyl (5-methoxy-1H-indol-2-yl)acetat. This chemical's molecular formula is C12H13NO3 and molecular weight is 219.2365. Its systematic name is called methyl 2-(5-methoxy-1H-indol-2-yl)acetate.

Physical properties of 1H-Indole-2-aceticacid, 5-methoxy-, methyl ester: (1)ACD/LogP: 1.81; (2)ACD/LogD (pH 5.5): 1.81; (3)ACD/LogD (pH 7.4): 1.81; (4)#H bond acceptors: 4; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 4; (7)Index of Refraction: 1.6; (8)Molar Refractivity: 61.16 cm3; (9)Molar Volume: 178.6 cm3; (10)Surface Tension: 47.2 dyne/cm; (11)Density: 1.226 g/cm3; (12)Flash Point: 183.4 °C; (13)Enthalpy of Vaporization: 62.77 kJ/mol; (14)Boiling Point: 379.7 °C at 760 mmHg; (15)Vapour Pressure: 5.76E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)Cc1cc2cc(ccc2n1)OC
(2)InChI: InChI=1/C12H13NO3/c1-15-10-3-4-11-8(6-10)5-9(13-11)7-12(14)16-2/h3-6,13H,7H2,1-2H3
(3)InChIKey: DSICFNMDJFXSBP-UHFFFAOYAA