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ScientificNameLabel
(1RS,4SR)-8-hydroxy-p-menthan-3-one
PHCD compound ID : 1904
Chemical Names :
(1RS,4SR)-8-hydroxy-p-menthan-3-one
Molecular Formula : C10H18O2
Molecular Weight : 170.13068
More Details :
Names & Synonyms: 2-(1-hydroxy-1-methyl-ethyl)-5-methyl-cyclohexanone , 2-(2-hydroxypropan-2-yl)-5-methyl-1-cyclohexanone , 2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-one , 5-methyl-2-(2-oxidanylpropan-2-yl)cyclohexan-1-one
Smiles: C[C@H]1CC[C@H](C(=O)C1)C(O)(C)C
InChi : InChI=1S/C10H18O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3/t7-,8+/m0/s1
InChi Key : InChIKey=QNZZGEDTDYWNFN-JGVFFNPUSA-N
PubChem ID : 3014189
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.956897
Hydrogen bond donor count : 1 Electric dipole moment : 4.265
XLogP : 1.895 VDW volume : 184.103841
Molecular weight : 170.13068 HOMO-LUMO gap : 10.720000
Herb list :
Refrences & Litretures:
  
224.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'36'      Page:'81'      DOI:'10.1016/j.indcrop.2011.08.011'      Title:'European pennyroyal (Mentha pulegium) from Portugal: Chemical composition of essential oil and antioxidant and antimicrobial properties of extracts and essential oil'
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