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Basic Information
CAS No.: 20032-32-0
Name: ethyl 3-methyl-1H-pyrrole-2-carboxylate
Molecular Structure:
Molecular Structure of 20032-32-0 (ethyl 3-methyl-1H-pyrrole-2-carboxylate)
Formula: C8H11NO2
Molecular Weight: 153.1784
Synonyms: 1H-Pyrrole-2-carboxylic acid, 3-methyl-, ethyl ester;
Density: 1.106 g/cm3
Boiling Point: 248.5 °C at 760 mmHg
Flash Point: 104.1 °C
PSA: 42.09000
LogP: 1.49980
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Specification

The ethyl 3-methyl-1H-pyrrole-2-carboxylate, with the CAS registry number 20032-32-0, is also known as 1H-Pyrrole-2-carboxylic acid, 3-methyl-, ethyl ester. This chemical's molecular formula is C8H11NO2 and molecular weight is 153.1784. What's more, its systematic name which is called Ethyl 3-methyl-1H-pyrrole-2-carboxylate.

Physical properties about ethyl 3-methyl-1H-pyrrole-2-carboxylate are: (1)ACD/LogP: 2.19; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 27.14; (6)ACD/BCF (pH 7.4): 27.15; (7)ACD/KOC (pH 5.5): 369.68; (8)ACD/KOC (pH 7.4): 369.71; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 31.23 Å2; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 41.91 cm3; (15)Molar Volume: 138.4 cm3; (16)Polarizability: 16.61×10-24 cm3; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.106 g/cm3; (19)Flash Point: 104.1 °C; (20)Enthalpy of Vaporization: 48.57 kJ/mol; (21)Boiling Point: 248.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0242 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1c(ccn1)C
(2) InChI: InChI=1/C8H11NO2/c1-3-11-8(10)7-6(2)4-5-9-7/h4-5,9H,3H2,1-2H3
(3) InChIKey: FGILMAYWLMWCQA-UHFFFAOYAC