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ScientificNameLabel
8-Hydroxycarvotanacetone
PHCD compound ID : 910
Chemical Names :
8-Hydroxycarvotanacetone
Molecular Formula : C10H16O2
Molecular Weight : 168.11503
More Details :
Names & Synonyms: 5-(1-hydroxy-1-methyl-ethyl)-2-methyl-cyclohex-2-en-1-one , 5-(2-hydroxypropan-2-yl)-2-methyl-1-cyclohex-2-enone , 5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one , 2-methyl-5-(2-oxidanylpropan-2-yl)cyclohex-2-en-1-one
Smiles: CC1=CC[C@@H](CC1=O)C(O)(C)C
InChi : InChI=1S/C10H16O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8,12H,5-6H2,1-3H3/t8-/m0/s1
InChi Key : InChIKey=DJOOMNLGIUGRKD-QMMMGPOBSA-N
PubChem ID : 143717
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.765621
Hydrogen bond donor count : 1 Electric dipole moment : 4.480
XLogP : 0.818 VDW volume : 181.467382
Molecular weight : 168.11503 HOMO-LUMO gap : 9.856000
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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