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ScientificNameLabel
Dodecenal
PHCD compound ID : 3353
Chemical Names :
Dodecenal , (2E)-Dodecenal
Molecular Formula : C12H22O1
Molecular Weight : 182.167065
More Details :
Names & Synonyms: dodec-2-enal , 2-dodecenal
Smiles: CCCCCCCCC/C=C/C=O
InChi : InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3/b11-10+
InChi Key : InChIKey=SSNZFFBDIMUILS-ZHACJKMWSA-N
PubChem ID : 20967
Rotatable bond count : 9 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 10.095261
Hydrogen bond donor count : 0 Electric dipole moment : 4.159
XLogP : 5.264 VDW volume : 219.625584
Molecular weight : 182.167065 HOMO-LUMO gap : 9.810000
Herb list :
Refrences & Litretures:
  
456.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'781'      DOI:'10.1080/0972060X.2013.813275'      Title:'Chemical Composition of the Essential Oil of Nigella sativa Seeds Extracted by Microwave Steam Distillation'
459.      Journal:'Flavour Fragr. J'      Year:'2007'      Volume:'22'      Page:'148'      DOI:'10.1002/ffj.1773'      Title:'Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation'
525.      Journal:'J. Chem. Pharm. Res'      Year:'2010'      Volume:'2'      Page:'284'      DOI:''      Title:'Essential oil composition of Hypericum perforatum L. and Hypericum scabrum L. growing wild in Tajikistan'
620.      Journal:'J Food Sci Technol'      Year:'2015'      Volume:'52'      Page:'2452'      DOI:'10.1007/s13197-014-1286-x'      Title:'Comparison of essential oil composition and antimicrobial activity of Coriandrum sativum L. extracted by hydrodistillation and microwave-assisted hydrodistillation'
920.      Journal:'International Journal of Traditional and Natural Medicines'      Year:'2013'      Volume:'2'      Page:'86'      DOI:''      Title:'Composition and Bioactivity of the Essential Oil of Melissa officinalis L. Growing Wild in Tajikistan'
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