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ScientificNameLabel
Alpha-Pyrrolaldehyde
PHCD compound ID : 2185
Chemical Names :
pyrrole-2-carboxaldehyde , Alpha-Pyrrolaldehyde
Molecular Formula : C5H5N1O1
Molecular Weight : 95.037114
More Details :
Names & Synonyms: 1H-pyrrole-2-carbaldehyde , 1H-pyrrole-2-carboxaldehyde
Smiles: O=Cc1ccc[nH]1
InChi : InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H
InChi Key : InChIKey=ZSKGQVFRTSEPJT-UHFFFAOYSA-N
PubChem ID : 13854
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.486405
Hydrogen bond donor count : 1 Electric dipole moment : 1.798
XLogP : 0.528 VDW volume : 83.657534
Molecular weight : 95.037114 HOMO-LUMO gap : 9.127000
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'
772.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'964'      DOI:'10.1080/0972060X.2012.10662600'      Title:'Difference in Essential Oil Composition of Rhizome of Polygonum bistorta L. from Different Asian Regions and Evaluation of its Antibacterial Activity'
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