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ScientificNameLabel
Non-3-enoic acid
PHCD compound ID : 2241
Chemical Names :
Non-3-enoic acid
Molecular Formula : C9H16O2
Molecular Weight : 156.11503
More Details :
Names & Synonyms: (E)-non-3-enoic acid , (E)-3-nonenoic acid
Smiles: CCCCC/C=C/CC(=O)O
InChi : InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h6-7H,2-5,8H2,1H3,(H,10,11)/b7-6+
InChi Key : InChIKey=ZBPYTVBKHKUNHG-VOTSOKGWSA-N
PubChem ID : 5282723
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.041481
Hydrogen bond donor count : 1 Electric dipole moment : 1.976
XLogP : 3.26 VDW volume : 176.527856
Molecular weight : 156.11503 HOMO-LUMO gap : 10.776000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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