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23466-27-5

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Basic Information
CAS No.: 23466-27-5
Name: ethyl 1-methylpyrrole-2-carboxylate
Article Data: 14
Molecular Structure:
Molecular Structure of 23466-27-5 (ethyl 1-methylpyrrole-2-carboxylate)
Formula: C8H11NO2
Molecular Weight: 153.181
Synonyms: Pyrrole-2-carboxylicacid, 1-methyl-, ethyl ester (6CI,7CI,8CI);Ethyl1-methyl-2-pyrrolecarboxylate;Ethyl N-methyl-2-pyrrolecarboxylate;
EINECS: 245-677-5
Density: 1.05g/cm3
Boiling Point: 223.6 °C at 760 mmHg
Flash Point: 89.1 °C
Safety: 24/25
PSA: 31.23000
LogP: 1.20180
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Specification

The Ethyl 1-methylpyrrole-2-carboxylate with the CAS number 23466-27-5 is also called 1H-Pyrrole-2-carboxylicacid, 1-methyl-, ethyl ester. The systematic name is ethyl 1-methyl-1H-pyrrole-2-carboxylate. Its molecular formula is C8H11NO2. The EINECS registry number is 245-677-5.

The properties of the Ethyl 1-methylpyrrole-2-carboxylate are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 34.68; (6)ACD/BCF (pH 7.4): 34.68; (7)ACD/KOC (pH 5.5): 440.54; (8)ACD/KOC (pH 7.4): 440.54; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 31.23 Å2; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 42.68 cm3; (15)Molar Volume: 145.5 cm3; (16)Polarizability: 16.92×10-24cm3; (17)Surface Tension: 34.3 dyne/cm; (18)Enthalpy of Vaporization: 46.01 kJ/mol; (19)Vapour Pressure: 0.0952 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cccn1C
(2)InChI: InChI=1/C8H11NO2/c1-3-11-8(10)7-5-4-6-9(7)2/h4-6H,3H2,1-2H3
(3)InChIKey: IIKHONWHFIKUQV-UHFFFAOYAM