1H-Pyrrole-2,3-dicarboxylic acid, diethyl ester supplier

Name
Diethyl-1H-Pyrrole-2,3-Dicarboxylate
EINECS
CAS No. 25472-60-0
Article Data3
CAS DataBase
Density 1.196 g/cm³
Solubility
Melting Point 30 °C
Formula C₁₀H₁₃NO₄
Boiling Point 340.2 °C at 760 mmHg
Molecular Weight 211.218
Flash Point 159.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Diethyl 1H-pyrrole-2,3-dicarboxylate;
PSA 68.39000
LogP 1.36810

1H-Pyrrole-2,3-dicarboxylic acid, diethyl ester Specification

The 1H-Pyrrole-2,3-dicarboxylic acid, diethyl ester, with the CAS registry number 25472-60-0, is also known as Diethyl 1H-pyrrole-2,3-dicarboxylate. This chemical's molecular formula is C₁₀H₁₃NO₄ and molecular weight is 211.2145. What's more, its systematic name is also called Diethyl 1H-pyrrole-2,3-dicarboxylate.

Physical properties about 1H-Pyrrole-2,3-dicarboxylic acid, diethyl ester are: (1)ACD/LogP: 2.12; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.13; (6)ACD/BCF (pH 7.4): 24.13; (7)ACD/KOC (pH 5.5): 339.82; (8)ACD/KOC (pH 7.4): 339.82; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 68.39 Å²; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 53.49 cm³; (15)Molar Volume: 176.5 cm³; (16)Polarizability: 21.2×10^-24 cm³; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.196 g/cm³; (19)Flash Point: 159.6 °C; (20)Enthalpy of Vaporization: 58.38 kJ/mol; (21)Boiling Point: 340.2 °C at 760 mmHg; (22)Vapour Pressure: 8.72E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1nccc1C(=O)OCC
(2) InChI: InChI=1/C10H13NO4/c1-3-14-9(12)7-5-6-11-8(7)10(13)15-4-2/h5-6,11H,3-4H2,1-2H3
(3) InChIKey: AKCIUXOENLCRHO-UHFFFAOYAA

Product Name

Diethyl-1H-Pyrrole-2,3-Dicarboxylate

1H-Pyrrole-2,3-dicarboxylic acid, diethyl ester Specification

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