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hentriacontanoic acid
PHCD compound ID : 5619
Chemical Names :
hentriacontanoic acid
Molecular Formula : C31H62O2
Molecular Weight : 466.474981
More Details :
Names & Synonyms: hentriacontanoic acid
Smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChi : InChI=1S/C31H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33/h2-30H2,1H3,(H,32,33)
InChi Key : InChIKey=ONLMUMPTRGEPCH-UHFFFAOYSA-N
PubChem ID : 37982
Rotatable bond count : 29 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.665510
Hydrogen bond donor count : 1 Electric dipole moment : 4.599
XLogP : 16.105 VDW volume : 559.675977
Molecular weight : 466.474981 HOMO-LUMO gap : 11.643000
Herb list :
Refrences & Litretures:
  
947.      Journal:'Plants'      Year:'2019'      Volume:'8'      Page:'40'      DOI:'10.3390/plants8020040'      Title:'Traditional Medicine Plant, Onopordum acanthium L. (Asteraceae): Chemical Composition and Pharmacological Research'
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