Ethyl 3-methylindole-2-carboxylate supplier

Name
ETHYL3-METHYL-2-INDOLECARBOXYLATE
EINECS
CAS No. 26304-51-8
Article Data33
CAS DataBase
Density 1.177 g/cm³
Solubility
Melting Point 134-136℃
Formula C₁₂H₁₃NO₂
Boiling Point 344.1 °C at 760 mmHg
Molecular Weight 203.241
Flash Point 161.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl3-methyl-2-indolecarboxylate;3-Methyl-1H-indole-2-carboxylic acid ethyl ester;
PSA 42.09000
LogP 2.65300

Ethyl 3-methylindole-2-carboxylate Specification

The CAS register number of 1H-Indole-2-carboxylic acid, 3-methyl-, ethyl ester is 26304-51-8. It also can be called as 3-Methyl-1H-indole-2-carboxylic acid ethyl ester and the systematic name about this chemical is ethyl 3-methyl-1H-indole-2-carboxylate. The molecular formula about this chemical is C₁₂H₁₃NO₂ and the molecular weight is 203.23712.

Physical properties about 1H-Indole-2-carboxylic acid, 3-methyl-, ethyl ester are: (1)ACD/LogP: 3.56; (2)ACD/LogD (pH 5.5): 3.56; (3)ACD/LogD (pH 7.4): 3.56; (4)ACD/BCF (pH 5.5): 299.75; (5)ACD/BCF (pH 7.4): 299.75; (6)ACD/KOC (pH 5.5): 2062.88; (7)ACD/KOC (pH 7.4): 2062.88; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 31.23 Å²; (12)Index of Refraction: 1.609; (13)Molar Refractivity: 59.75 cm³; (14)Molar Volume: 172.5 cm³; (15)Polarizability: 23.69x10^-24cm³; (16)Surface Tension: 47.5 dyne/cm; (17)Density: 1.177 g/cm³; (18)Flash Point: 161.9 °C; (19)Enthalpy of Vaporization: 58.8 kJ/mol; (20)Boiling Point: 344.1 °C at 760 mmHg; (21)Vapour Pressure: 6.74E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c2c(c1ccccc1n2)C
(2)InChI: InChI=1/C12H13NO2/c1-3-15-12(14)11-8(2)9-6-4-5-7-10(9)13-11/h4-7,13H,3H2,1-2H3
(3)InChIKey: OZQXZSIVKVCSDF-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C12H13NO2/c1-3-15-12(14)11-8(2)9-6-4-5-7-10(9)13-11/h4-7,13H,3H2,1-2H3
(5)Std. InChIKey: OZQXZSIVKVCSDF-UHFFFAOYSA-N

Product Name

ETHYL3-METHYL-2-INDOLECARBOXYLATE

Ethyl 3-methylindole-2-carboxylate Specification

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