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ScientificNameLabel
Methyl myrtenate
PHCD compound ID : 4476
Chemical Names :
Methyl myrtenate
Molecular Formula : C11H16O2
Molecular Weight : 180.11503
More Details :
Names & Synonyms: methyl 6,6-dimethylbicyclo[3.1.1]hept-3-ene-4-carboxylate , 6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enecarboxylic acid methyl ester , 6,6-dimethylbicyclo[3.1.1]hept-3-ene-4-carboxylic acid methyl ester
Smiles: COC(=O)C1=CC[C@@H]2C[C@H]1C2(C)C
InChi : InChI=1S/C11H16O2/c1-11(2)7-4-5-8(9(11)6-7)10(12)13-3/h5,7,9H,4,6H2,1-3H3/t7-,9-/m1/s1
InChi Key : InChIKey=HBIHNNBZGOVTTR-VXNVDRBHSA-N
PubChem ID : 6429099
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.839100
Hydrogen bond donor count : 0 Electric dipole moment : 2.294
XLogP : 3.043 VDW volume : 186.406908
Molecular weight : 180.11503 HOMO-LUMO gap : 9.813000
Herb list :
Refrences & Litretures:
  
659.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'37'      Page:'479'      DOI:'10.1016/j.indcrop.2011.07.024'      Title:'Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia'
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