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Nonadecanoic acid,methyl ester
PHCD compound ID : 3991
Chemical Names :
Nonadecanoic acid,methyl ester
Molecular Formula : C20H40O2
Molecular Weight : 312.302831
More Details :
Names & Synonyms: methyl nonadecanoate , nonadecanoic acid methyl ester
Smiles: CCCCCCCCCCCCCCCCCCC(=O)OC
InChi : InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3
InChi Key : InChIKey=BDXAHSJUDUZLDU-UHFFFAOYSA-N
PubChem ID : 15610
Rotatable bond count : 18 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.648670
Hydrogen bond donor count : 0 Electric dipole moment : 1.728
XLogP : 9.598 VDW volume : 369.420146
Molecular weight : 312.302831 HOMO-LUMO gap : 11.793000
Herb list :
Refrences & Litretures:
  
546.      Journal:'Food Chemistry'      Year:'2007'      Volume:'102'      Page:'1096'      DOI:'10.1016/j.foodchem.2006.06.047'      Title:'Chemical and biological variability of hot pepper fruits (Capsicum annuum var. acuminatum L.) in relation to maturity stage'
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