Skip Navigation Links
ScientificNameLabel
5-methyl 1H-pyrrole-2-carboxaldehyde
PHCD compound ID : 2187
Chemical Names :
5-methyl 1H-pyrrole-2-carboxaldehyde
Molecular Formula : C6H7N1O1
Molecular Weight : 109.052764
More Details :
Names & Synonyms: 5-methyl-1H-pyrrole-2-carbaldehyde , 5-methyl-1H-pyrrole-2-carboxaldehyde
Smiles: Cc1ccc([nH]1)C=O
InChi : InChI=1S/C6H7NO/c1-5-2-3-6(4-8)7-5/h2-4,7H,1H3
InChi Key : InChIKey=LFWLUDLUCDRDAF-UHFFFAOYSA-N
PubChem ID : 14508
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.140476
Hydrogen bond donor count : 1 Electric dipole moment : 2.561
XLogP : 0.764 VDW volume : 100.953519
Molecular weight : 109.052764 HOMO-LUMO gap : 8.916000
Herb list :
Refrences & Litretures:
  
257.      Journal:'J. Agric. Food Chem'      Year:'2012'      Volume:'60'      Page:'9097'      DOI:'10.1021/jf301800x'      Title:'Antioxidant Activities of Extracts from Teas Prepared from Medicinal Plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata, and Their Volatile Components'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us