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ScientificNameLabel
Pentadecenoic acid
PHCD compound ID : 1815
Chemical Names :
Pentadecenoic acid
Molecular Formula : C15H28O2
Molecular Weight : 240.20893
More Details :
Names & Synonyms: pentadec-2-enoic acid , 2-pentadecenoic acid
Smiles: CCCCCCCCCCCC/C=C/C(=O)O
InChi : InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h13-14H,2-12H2,1H3,(H,16,17)/b14-13+
InChi Key : InChIKey=HOGWBMWOBRRKCD-BUHFOSPRSA-N
PubChem ID : 53887649
Rotatable bond count : 12 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.687211
Hydrogen bond donor count : 1 Electric dipole moment : 2.545
XLogP : 6.89 VDW volume : 280.303764
Molecular weight : 240.20893 HOMO-LUMO gap : 10.474000
Herb list :
Refrences & Litretures:
  
208.      Journal:'Journal of Research in Agricultural Science'      Year:'2012'      Volume:'8'      Page:'59'      DOI:''      Title:'Chemical Composition and Antioxidant Properties of Malva sylvestris L'
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'
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