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ScientificNameLabel
2-hexadecanone
PHCD compound ID : 2775
Chemical Names :
2-hexadecanone
Molecular Formula : C16H32O1
Molecular Weight : 240.245316
More Details :
Names & Synonyms: hexadecan-2-one , 2-hexadecanone
Smiles: CCCCCCCCCCCCCCC(=O)C
InChi : InChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3
InChi Key : InChIKey=XCXKZBWAKKPFCJ-UHFFFAOYSA-N
PubChem ID : 29251
Rotatable bond count : 13 Rule of five : 2
Hydrogen bond acceptor count : 1 Ionization potential : 10.107745
Hydrogen bond donor count : 0 Electric dipole moment : 3.078
XLogP : 7.266 VDW volume : 291.445981
Molecular weight : 240.245316 HOMO-LUMO gap : 11.053000
Herb list :
Refrences & Litretures:
  
323.      Journal:'J. Agric. Food Chem'      Year:'2000'      Volume:'48'      Page:'4294'      DOI:'10.1021/jf991395c'      Title:'Chemical Composition of the Flower Oil of Cinnamomum zeylanicum Blume'
542.      Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech'      Year:'2015'      Volume:'320'      Page:'95'      DOI:''      Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
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'
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