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ScientificNameLabel
Alpha-thujenal
PHCD compound ID : 623
Chemical Names :
3-Thujene-10-al , Alpha-thujenal
Molecular Formula : C10H14O1
Molecular Weight : 150.104465
More Details :
Names & Synonyms: 1-isopropylbicyclo[3.1.0]hex-3-ene-4-carbaldehyde , 1-propan-2-yl-4-bicyclo[3.1.0]hex-3-enecarboxaldehyde , 1-propan-2-ylbicyclo[3.1.0]hex-3-ene-4-carbaldehyde
Smiles: O=CC1=CC[C@@]2([C@H]1C2)C(C)C
InChi : InChI=1S/C10H14O/c1-7(2)10-4-3-8(6-11)9(10)5-10/h3,6-7,9H,4-5H2,1-2H3/t9-,10-/m0/s1
InChi Key : InChIKey=YZNIFKFTGCAOST-UWVGGRQHSA-N
PubChem ID : 530411
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.831332
Hydrogen bond donor count : 0 Electric dipole moment : 3.776
XLogP : 2.803 VDW volume : 160.320697
Molecular weight : 150.104465 HOMO-LUMO gap : 9.538000
Herb list :
Refrences & Litretures:
  
36.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2010'      Volume:'13'      Page:'316'      DOI:'10.1080/0972060X.2010.10643827'      Title:'Volatile Constituents of Leaves of Ficus carica Linn. Grown in Egypt'
152.      Journal:'Int. J. Agric. Biol'      Year:'2011'      Volume:'12'      Page:'527'      DOI:''      Title:'Chemical Composition of the Essential Oils of some Achillea Species Growing Wild in Turkey'
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