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ScientificNameLabel
Sabinene hidrate acetate
PHCD compound ID : 4554
Chemical Names :
Sabinene hidrate acetate
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms: (1-isopropyl-4-methyl-4-bicyclo[3.1.0]hexanyl) acetate , acetic acid (4-methyl-1-propan-2-yl-4-bicyclo[3.1.0]hexanyl) ester , (4-methyl-1-propan-2-yl-4-bicyclo[3.1.0]hexanyl) acetate , (4-methyl-1-propan-2-yl-4-bicyclo[3.1.0]hexanyl) ethanoate , acetic acid (1-isopropyl-4-methyl-4-bicyclo[3.1.0]hexanyl) ester
Smiles: CC(=O)O[C@@]1(C)CC[C@@]2([C@H]1C2)C(C)C
InChi : InChI=1S/C12H20O2/c1-8(2)12-6-5-11(4,10(12)7-12)14-9(3)13/h8,10H,5-7H2,1-4H3/t10-,11-,12-/m0/s1
InChi Key : InChIKey=MYCFGFMJUUNKBN-SRVKXCTJSA-N
PubChem ID : 524255
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.289488
Hydrogen bond donor count : 0 Electric dipole moment : 1.848
XLogP : 3.496 VDW volume : 206.339352
Molecular weight : 196.14633 HOMO-LUMO gap : 11.596000
Herb list :
Refrences & Litretures:
  
692.      Journal:'Rev. Bras. Pl. Med'      Year:'2013'      Volume:'15'      Page:'438'      DOI:''      Title:'Chemical composition of sage (Salvia offcinalis L.) essential oil from the Rio de Janeiro State (Brazil)'
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