Chemical Properties of 1H-Pyrrole-2-carboxaldehyde, 1-ethyl- (CAS 2167-14-8)

InChI

InChI=1S/C7H9NO/c1-2-8-5-3-4-7(8)6-9/h3-6H,2H2,1H3

InChI Key

DVLGEHCERRWDIX-UHFFFAOYSA-N

Formula

C7H9NO

SMILES

CCn1cccc1C=O

Molecular Weight¹

123.15

CAS

2167-14-8

Other Names

• 1-Ethyl-1H-pyrrole-2-carboxaldehyde
• 1-Ethyl-1H-pyrrole-2-carboxyaldehyde
• 1-Ethyl-2-formyl-1H-pyrrole
• 1-Ethyl-2-formylpyrrole
• 1-Ethyl-2-pyrrolecarbaldehyde

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-1.97		Crippen Calculated Property
logPoct/wat	1.321		Crippen Calculated Property
McVol	101.580	ml/mol	McGowan Calculated Property
Inp	[1039.00; 1067.00]
Inp	1067.00		NIST
Inp	1039.00		NIST
Inp	1046.00		NIST
Inp	1067.00		NIST
I	[1562.00; 1616.00]
I	1610.00		NIST
I	1610.00		NIST
I	1610.00		NIST
I	1610.00		NIST
I	1566.00		NIST
I	1562.00		NIST
I	1616.00		NIST
I	1616.00		NIST

Similar Compounds

Find more compounds similar to 1H-Pyrrole-2-carboxaldehyde, 1-ethyl-.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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