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ScientificNameLabel
2-Ethylhexyl 4-methoxycinnamate
PHCD compound ID : 3640
Chemical Names :
2-Ethylhexyl 4-methoxycinnamate
Molecular Formula : C18H26O3
Molecular Weight : 290.188195
More Details :
Names & Synonyms: 2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate , 3-(4-methoxyphenyl)-2-propenoic acid 2-ethylhexyl ester , 3-(4-methoxyphenyl)acrylic acid 2-ethylhexyl ester
Smiles: CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC
InChi : InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+/t15-/m1/s1
InChi Key : InChIKey=YBGZDTIWKVFICR-NRMKIYEFSA-N
PubChem ID : 21630
Rotatable bond count : 10 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.012338
Hydrogen bond donor count : 0 Electric dipole moment : 3.667
XLogP : 4.747 VDW volume : 309.81611
Molecular weight : 290.188195 HOMO-LUMO gap : 8.353000
Herb list :
Refrences & Litretures:
  
508.      Journal:'Flavour Fragr. J'      Year:'2005'      Volume:'20'      Page:'158'      DOI:'10.1002/ffj.1335'      Title:'Volatile components of the leaves of Brassica rapa L. var. perviridis Bailey'
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