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ScientificNameLabel
Hexadec-9-enoic acid
PHCD compound ID : 1727
Chemical Names :
cis-9-Hexadecenoic acid , Hexadec-9-enoic acid
Molecular Formula : C16H30O2
Molecular Weight : 254.22458
More Details :
Names & Synonyms: hexadec-9-enoic acid , 9-hexadecenoic acid
Smiles: CCCCCC/C=C/CCCCCCCC(=O)O
InChi : InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+
InChi Key : InChIKey=SECPZKHBENQXJG-BQYQJAHWSA-N
PubChem ID : 4668
Rotatable bond count : 13 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.588788
Hydrogen bond donor count : 1 Electric dipole moment : 1.768
XLogP : 7.054 VDW volume : 297.599749
Molecular weight : 254.22458 HOMO-LUMO gap : 10.572000
Herb list :
Refrences & Litretures:
  
195.      Journal:'Int J Pharm Pharm Sci'      Year:'2014'      Volume:'6'      Page:'60'      DOI:''      Title:'GAS CHROMATOGRAPHY AND MASS SPECTROMETRY ANALYSIS OF BIOACTIVE CONSTITUENTS OF ADIANTUM CAPILLUS-VENERIS L'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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