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ScientificNameLabel
p-Menthane-1,2,4-trio1
PHCD compound ID : 913
Chemical Names :
p-Menthane-1,2,4-trio1
Molecular Formula : C10H20O3
Molecular Weight : 188.141245
More Details :
Names & Synonyms: 4-isopropyl-1-methyl-cyclohexane-1,2,4-triol , 1-methyl-4-propan-2-ylcyclohexane-1,2,4-triol , 1-methyl-4-propan-2-yl-cyclohexane-1,2,4-triol
Smiles: CC([C@@]1(O)CC[C@@]([C@@H](C1)O)(C)O)C
InChi : InChI=1S/C10H20O3/c1-7(2)10(13)5-4-9(3,12)8(11)6-10/h7-8,11-13H,4-6H2,1-3H3/t8-,9-,10-/m1/s1
InChi Key : InChIKey=RKROZYQLIWCOBD-OPRDCNLKSA-N
PubChem ID : 528375
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.705229
Hydrogen bond donor count : 3 Electric dipole moment : 1.845
XLogP : 0.976 VDW volume : 195.530526
Molecular weight : 188.141245 HOMO-LUMO gap : 12.355000
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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