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ScientificNameLabel
4-Pentenoic acid,2-acetyl-,ethyl ester
PHCD compound ID : 5137
Chemical Names :
4-Pentenoic acid,2-acetyl-,ethyl ester
Molecular Formula : C9H14O3
Molecular Weight : 170.094294
More Details :
Names & Synonyms: ethyl 2-acetylpent-4-enoate , 2-acetyl-4-pentenoic acid ethyl ester , ethyl 2-ethanoylpent-4-enoate , 2-acetylpent-4-enoic acid ethyl ester
Smiles: CC(=O)[C@@H](C(=O)OCC)CC=C
InChi : InChI=1S/C9H14O3/c1-4-6-8(7(3)10)9(11)12-5-2/h4,8H,1,5-6H2,2-3H3/t8-/m0/s1
InChi Key : InChIKey=IXKFNTFJUHTDNE-QMMMGPOBSA-N
PubChem ID : 95448
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.280328
Hydrogen bond donor count : 0 Electric dipole moment : 3.057
XLogP : 1.696 VDW volume : 182.681624
Molecular weight : 170.094294 HOMO-LUMO gap : 10.919000
Herb list :
Refrences & Litretures:
  
813.      Journal:'J Biomedical Sci'      Year:'2018'      Volume:'7'      Page:'1'      DOI:'10.4172/2254-609X.100089'      Title:'Antioxidative Activity Of Essential Oil Of Flowers Of Tea (Camellia Sinensis L.) Plants Extracted By Supercritical Carbon Dioxide'
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