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ScientificNameLabel
Caran-4-on,3-Hydroxy
PHCD compound ID : 1886
Chemical Names :
Caran-4-on,3-Hydroxy
Molecular Formula : C10H16O2
Molecular Weight : 168.11503
More Details :
Names & Synonyms:
Smiles: O=C1C[C@@H]2[C@H](C[C@@]1(C)O)C2(C)C
InChi : InChI=1S/C10H16O2/c1-9(2)6-4-8(11)10(3,12)5-7(6)9/h6-7,12H,4-5H2,1-3H3/t6-,7+,10-/m1/s1
InChi Key : InChIKey=ZPUQSQULULBFIN-MATHAZKKSA-N
PubChem ID :
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.007516
Hydrogen bond donor count : 1 Electric dipole moment : 3.455
XLogP : 1.705 VDW volume : 171.747382
Molecular weight : 168.11503 HOMO-LUMO gap : 10.573000
Herb list :
Refrences & Litretures:
  
223.      Journal:'J. Med. Plants Res'      Year:'2013'      Volume:'7'      Page:'3003'      DOI:'10.5897/JMPR12.1270'      Title:'Chemical composition of the essential oil of Mentha pulegium L. from Taftan Area by means of gas chromatography/mass spectrometry (GC/MS)'
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