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ScientificNameLabel
2-heptadecanone
PHCD compound ID : 1470
Chemical Names :
2-heptadecanone , Heptadecan-2-one
Molecular Formula : C17H34O1
Molecular Weight : 254.260966
More Details :
Names & Synonyms: heptadecan-2-one , 2-heptadecanone
Smiles: CCCCCCCCCCCCCCCC(=O)C
InChi : InChI=1S/C17H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h3-16H2,1-2H3
InChi Key : InChIKey=TVTCXPXLRKTHAU-UHFFFAOYSA-N
PubChem ID : 18027
Rotatable bond count : 14 Rule of five : 2
Hydrogen bond acceptor count : 1 Ionization potential : 10.108517
Hydrogen bond donor count : 0 Electric dipole moment : 3.158
XLogP : 7.835 VDW volume : 308.741965
Molecular weight : 254.260966 HOMO-LUMO gap : 11.054000
Herb list :
Refrences & Litretures:
  
156.      Journal:'Annals of Biological Research'      Year:'2012'      Volume:'3'      Page:'385'      DOI:''      Title:'The Essential Oil Composition of Artemisia vulgaris L. in Iran'
179.      Journal:'Journal of Essential Oil Research'      Year:'1998'      Volume:'10'      Page:'427'      DOI:'10.1080/10412905.1998.9700934'      Title:'Chemical Composition of the Leaf Oil of Achillea millefolium L. Grown in Cuba'
181.      Journal:'Flavour Fragr. J'      Year:'2002'      Volume:'17'      Page:'165'      DOI:'10.1002/ffj.1074'      Title:'Essential oil composition of Achillea millefolium L. growing wild in Kashmir, India'
444.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1993'      Volume:'8'      Page:'209'      DOI:'10.1002/ffj.2730080408'      Title:'The Essential Oil of Rhus coriaria L. Fruits'
548.      Journal:'J. Essent. Oil Res'      Year:'2007'      Volume:'19'      Page:'360'      DOI:'10.1080/10412905.2007.9699305'      Title:'Essential Oil from the Flowers and Leaves of Cassia fstula L'
939.      Journal:'Cellular and Molecular Biology'      Year:'2017'      Volume:'63'      Page:'1'      DOI:'10.14715/cmb/2017.63.9.1'      Title:'Bioactive chemical compounds in Eremurus persicus (Joub. & Spach) Boiss. essential oil and their health implications'
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