Skip Navigation Links
ScientificNameLabel
Erucic acid methyl ester
PHCD compound ID : 5283
Chemical Names :
Erucic acid methyl ester
Molecular Formula : C23H44O2
Molecular Weight : 352.334131
More Details :
Names & Synonyms: methyl (Z)-docos-13-enoate , (Z)-13-docosenoic acid methyl ester , methyl (Z)-docos-13-enoate , (Z)-docos-13-enoic acid methyl ester
Smiles: CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC
InChi : InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3/b11-10-
InChi Key : InChIKey=ZYNDJIBBPLNPOW-KHPPLWFESA-N
PubChem ID : 5364423
Rotatable bond count : 20 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.567707
Hydrogen bond donor count : 0 Electric dipole moment : 2.139
XLogP : 10.789 VDW volume : 418.671641
Molecular weight : 352.334131 HOMO-LUMO gap : 10.689000
Herb list :
Refrences & Litretures:
  
845.      Journal:'Pak. J. Bot'      Year:'2011'      Volume:'43'      Page:'1351'      DOI:''      Title:'PHYTOCHEMICAL ANALYSIS AND ANTIBACTERIAL ACTIVITY OF ERUCA SATIVA SEED'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us