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ScientificNameLabel
2-acetylpyrrole
PHCD compound ID : 2184
Chemical Names :
2-acetylpyrrole , 2-acetyl pyrole
Molecular Formula : C6H7N1O1
Molecular Weight : 109.052764
More Details :
Names & Synonyms: 1-(1H-pyrrol-2-yl)ethanone
Smiles: CC(=O)c1ccc[nH]1
InChi : InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
InChi Key : InChIKey=IGJQUJNPMOYEJY-UHFFFAOYSA-N
PubChem ID : 14079
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.392620
Hydrogen bond donor count : 1 Electric dipole moment : 4.794
XLogP : 0.709 VDW volume : 100.953519
Molecular weight : 109.052764 HOMO-LUMO gap : 9.246000
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'
542.      Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech'      Year:'2015'      Volume:'320'      Page:'95'      DOI:''      Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
589.      Journal:'Food Chemistry'      Year:'2004'      Volume:'84'      Page:'367'      DOI:'10.1016/S0308-8146(03)00241-3'      Title:'Changes in chemical composition of pumpkin seeds during the roasting process for production of pumpkin seed oil (Part 2: volatile compounds)'
753.      Journal:'Journal of Essential Oil Research'      Year:'2006'      Volume:'18'      Page:'508'      DOI:'org/10.1080/10412905.2006.9699155'      Title:'Identification of the Key Aroma Compounds in Dried Roots of Isatis tinctoria'
901.      Journal:'Journal of Advanced Research'      Year:'2017'      Volume:'8'      Page:'379'      DOI:'10.1016/j.jare.2017.05.002'      Title:'Volatiles pro?ling in Ceratonia siliqua (Carob bean) from Egypt and in response to roasting as analyzed via solid-phase microextraction coupled to chemometrics'
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