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ScientificNameLabel
p-Tolualdehyde
PHCD compound ID : 1574
Chemical Names :
p-Tolualdehyde , 4-methylbenzaldehyde
Molecular Formula : C8H8O1
Molecular Weight : 120.057515
More Details :
Names & Synonyms: 4-methylbenzaldehyde
Smiles: O=Cc1ccc(cc1)C
InChi : InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
InChi Key : InChIKey=FXLOVSHXALFLKQ-UHFFFAOYSA-N
PubChem ID : 7725
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.810777
Hydrogen bond donor count : 0 Electric dipole moment : 3.760
XLogP : 1.455 VDW volume : 121.912269
Molecular weight : 120.057515 HOMO-LUMO gap : 9.224000
Herb list :
Refrences & Litretures:
  
174.      Journal:'Agric. Bioi. Chern'      Year:'1983'      Volume:'47'      Page:'2495'      DOI:'10.1080/00021369.1983.10865983'      Title:'Volatile Components of Quince Fruit (Cydonia oblonga Mill.)'
251.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'318'      DOI:'10.1080/10412905.2004.9698731'      Title:'Volatile Components of Tamarind (Tamarindus indica L.) Grown in Cuba'
261.      Journal:'Herba Polonica'      Year:'2009'      Volume:'55'      Page:'153'      DOI:''      Title:'Contents and chemical composition of essential oils from wild strawberry (Fragaria vesca L.)'
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'
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