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ScientificNameLabel
pentadecadienoic acid
PHCD compound ID : 4759
Chemical Names :
pentadecadienoic acid
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms: pentadeca-2,4-dienoic acid
Smiles: CCCCCCCCCC/C=C/C=C/C(=O)O
InChi : InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h11-14H,2-10H2,1H3,(H,16,17)/b12-11+,14-13+
InChi Key : InChIKey=XXQINHWMBIXTGY-LDHFCIDVSA-N
PubChem ID : 54493784
Rotatable bond count : 11 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.783729
Hydrogen bond donor count : 1 Electric dipole moment : 3.319
XLogP : 6.446 VDW volume : 277.667305
Molecular weight : 238.19328 HOMO-LUMO gap : 8.999000
Herb list :
Refrences & Litretures:
  
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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