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ScientificNameLabel
myrtenoic acid
PHCD compound ID : 4387
Chemical Names :
myrtenoic acid
Molecular Formula : C10H14O2
Molecular Weight : 166.09938
More Details :
Names & Synonyms: 6,6-dimethylbicyclo[3.1.1]hept-3-ene-4-carboxylic acid , 6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enecarboxylic acid
Smiles: OC(=O)C1=CC[C@@H]2C[C@H]1C2(C)C
InChi : InChI=1S/C10H14O2/c1-10(2)6-3-4-7(9(11)12)8(10)5-6/h4,6,8H,3,5H2,1-2H3,(H,11,12)/t6-,8-/m1/s1
InChi Key : InChIKey=XPHVDOXZJRTIMV-HTRCEHHLSA-N
PubChem ID : 86840
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.964822
Hydrogen bond donor count : 1 Electric dipole moment : 2.618
XLogP : 2.722 VDW volume : 169.110924
Molecular weight : 166.09938 HOMO-LUMO gap : 9.780000
Herb list :
Refrences & Litretures:
  
652.      Journal:'Research Journal of Pharmaceutical, Biological and Chemical Sciences'      Year:'2015'      Volume:'6'      Page:'125'      DOI:''      Title:'Volatile Oil Composition of Carthamus Tinctorius L the Flowers Grown in Kazakhstan'
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