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ScientificNameLabel
p-Menthanetriol
PHCD compound ID : 914
Chemical Names :
p-Menthanetriol
Molecular Formula : C10H20O3
Molecular Weight : 188.141245
More Details :
Names & Synonyms: 4-isopropyl-1-methyl-cyclohexane-1,2,3-triol , 1-methyl-4-propan-2-ylcyclohexane-1,2,3-triol , 1-methyl-4-propan-2-yl-cyclohexane-1,2,3-triol
Smiles: CC([C@@H]1CC[C@]([C@@H]([C@@H]1O)O)(C)O)C
InChi : InChI=1S/C10H20O3/c1-6(2)7-4-5-10(3,13)9(12)8(7)11/h6-9,11-13H,4-5H2,1-3H3/t7-,8+,9+,10-/m0/s1
InChi Key : InChIKey=NVGQNYUHEDOFOJ-JLIMGVALSA-N
PubChem ID : 539044
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.059461
Hydrogen bond donor count : 3 Electric dipole moment : 2.108
XLogP : 1.707 VDW volume : 195.530526
Molecular weight : 188.141245 HOMO-LUMO gap : 12.332000
Herb list :
Refrences & Litretures:
  
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
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