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Basic Information
CAS No.: 7126-50-3
Name: ETHYL 5-FORMYL-1H-PYRROLE-2-CARBOXYLATE
Article Data: 7
Molecular Structure:
Molecular Structure of 7126-50-3 (ETHYL 5-FORMYL-1H-PYRROLE-2-CARBOXYLATE)
Formula: C8H9 N O3
Molecular Weight: 167.164
Synonyms: Pyrrole-2-carboxylicacid, 5-formyl-, ethyl ester (7CI,8CI); 2-Formyl-5-(ethoxycarbonyl)pyrrole;Ethyl 5-formylpyrrole-2-carboxylate; NSC 272667
Density: 1.249g/cm3
Boiling Point: 321.7°C at 760 mmHg
Flash Point: 148.3°C
PSA: 59.16000
LogP: 1.00390
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  • ETHYL 5-FORMYL-1H-PYRROLE-2-CARBOXYLATE

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    ETHYL 5-FORMYL-1H-PYRROLE-2-CARBOXYLATE

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Chemistry

Molecular structure of Ethyl 5-formyl-1H-pyrrole-2-carboxylate (CAS NO.7126-50-3) is:

Product Name: Ethyl 5-formyl-1H-pyrrole-2-carboxylate
CAS Registry Number: 7126-50-3
IUPAC Name: ethyl 5-formyl-1H-pyrrole-2-carboxylate
Molecular Weight: 167.16196 [g/mol]  
Molecular Formula: C8H9NO3  
XLogP3-AA: 1.1  
H-Bond Donor: 1  
H-Bond Acceptor: 3
Index of Refraction: 1.569 
Molar Refractivity: 43.84 cm3 
Molar Volume: 133.8 cm3
Surface Tension: 50.4 dyne/cm 
Density: 1.249 g/cm3 
Flash Point: 148.3 °C 
Enthalpy of Vaporization: 56.34 kJ/mol 
Boiling Point: 321.7 °C at 760 mmHg 
Vapour Pressure: 0.000294 mmHg at 25°C 
Product Categories: CHIRAL CHEMICALS
Canonical SMILES: CCOC(=O)C1=CC=C(N1)C=O
InChI: InChI=1S/C8H9NO3/c1-2-12-8(11)7-4-3-6(5-10)9-7/h3-5,9H,2H2,1H3 
InChIKey: HTPFMOGFQKDFHX-UHFFFAOYSA-N

Specification

 Ethyl 5-formyl-1H-pyrrole-2-carboxylate , its cas register number is 7126-50-3. It also can be called 1H-Pyrrole-2-carboxylicacid, 5-formyl-, ethyl ester ; Pyrrole-2-carboxylicacid, 5-formyl-, ethyl ester (7CI,8CI) ; 2-Formyl-5-(ethoxycarbonyl)pyrrole .