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ScientificNameLabel
Pentadecenoic
PHCD compound ID : 3467
Chemical Names :
Pentadecenoic
Molecular Formula : C15H28O2
Molecular Weight : 240.20893
More Details :
Names & Synonyms: pentadec-14-enoic acid , 14-pentadecenoic acid
Smiles: C=CCCCCCCCCCCCCC(=O)O
InChi : InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2H,1,3-14H2,(H,16,17)
InChi Key : InChIKey=CAHZYAQCDBBLER-UHFFFAOYSA-N
PubChem ID : 543854
Rotatable bond count : 13 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.061166
Hydrogen bond donor count : 1 Electric dipole moment : 1.827
XLogP : 6.635 VDW volume : 280.303764
Molecular weight : 240.20893 HOMO-LUMO gap : 11.020000
Herb list :
Refrences & Litretures:
  
484.      Journal:'Food Chemistry'      Year:'2007'      Volume:'104'      Page:'229'      DOI:'10.1016/j.foodchem.2006.11.032'      Title:'Chemical composition and characterisation of seeds from two varieties (pure and hybrid) of Aesculus hippocastanum'
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