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ScientificNameLabel
2-Phenyl propanal
PHCD compound ID : 3358
Chemical Names :
2-Phenyl propanal
Molecular Formula : C9H10O1
Molecular Weight : 134.073165
More Details :
Names & Synonyms: 2-phenylpropanal , 2-phenylpropionaldehyde
Smiles: O=C[C@@H](c1ccccc1)C
InChi : InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3/t8-/m0/s1
InChi Key : InChIKey=IQVAERDLDAZARL-QMMMGPOBSA-N
PubChem ID : 7146
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.659503
Hydrogen bond donor count : 0 Electric dipole moment : 2.900
XLogP : 1.881 VDW volume : 139.208254
Molecular weight : 134.073165 HOMO-LUMO gap : 9.610000
Herb list :
Refrences & Litretures:
  
457.      Journal:'Food Chemistry'      Year:'2011'      Volume:'129'      Page:'1469'      DOI:'10.1016/j.foodchem.2011.05.117'      Title:'Chemical composition, antimicrobial potential against cariogenic bacteria and cytotoxic activity of Tunisian Nigella sativa essential oil and thymoquinone'
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