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Ethyl 5-methylindole-2-carboxylate

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Name

Ethyl 5-methylindole-2-carboxylate

EINECS N/A
CAS No. 16382-15-3 Density 1.177g/cm3
PSA 42.09000 LogP 2.65300
Solubility Soluble in methanol, and dichloromethane. Insoluble in water. Melting Point 162-164°C
Formula C12H13NO2 Boiling Point 356.5 °C at 760 mmHg
Molecular Weight 203.241 Flash Point 169.4 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 16382-15-3 (ETHYL 5-METHYLINDOLE-2-CARBOXYLATE) Hazard Symbols N/A
Synonyms

Indole-2-carboxylicacid, 5-methyl-, ethyl ester (6CI,8CI);5-Methyl-1H-indole-2-carboxylic acidethyl ester;Ethyl 5-methyl-1H-indole-2-carboxylate;Ethyl5-methylindole-2-carboxylate;NSC 30928;

Article Data 21

Ethyl 5-methylindole-2-carboxylate Specification

The Ethyl 5-methylindole-2-carboxylate with its cas register number is 16382-15-3. It also can be called as 5-Methyl-1H-indole-2-carboxylic acid ethyl ester and the IUPAC Name about this chemical is ethyl 5-methyl-1H-indole-2-carboxylate. It belongs to the following product categories, such as Indoles and derivatives, Indole, Building Blocks, Heterocyclic Building Blocks, Indoles and so on. When you are using it, please not breathe dust and avoid contact with skin and eyes.

Physical properties about Ethyl 5-methylindole-2-carboxylate are: (1)ACD/LogP: 3.56; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 31.23Å2; (6)Index of Refraction: 1.609; (7)Molar Refractivity: 59.75 cm3; (8)Molar Volume: 172.5 cm3; (9)Polarizability: 23.69x10-24cm3; (10)Surface Tension: 47.5 dyne/cm; (11)Enthalpy of Vaporization: 60.18 kJ/mol; (12)Vapour Pressure: 2.9E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C
(2)InChI: InChI=1S/C12H13NO2/c1-3-15-12(14)11-7-9-6-8(2)4-5-10(9)13-11/h4-7,13H,3H2,1-2H3
(3)InChIKey: KMVFKXFOPNKHEM-UHFFFAOYSA-N

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