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ScientificNameLabel
p-cymen-9-ol
PHCD compound ID : 1276
Chemical Names :
p-cymen-9-ol
Molecular Formula : C10H14O1
Molecular Weight : 150.104465
More Details :
Names & Synonyms: 2-(p-tolyl)propan-1-ol , 2-(4-methylphenyl)-1-propanol , 2-(4-methylphenyl)propan-1-ol
Smiles: OC[C@@H](c1ccc(cc1)C)C
InChi : InChI=1S/C10H14O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-6,9,11H,7H2,1-2H3/t9-/m0/s1
InChi Key : InChIKey=CLFDIFDNDWRHJF-VIFPVBQESA-N
PubChem ID : 95376
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.310217
Hydrogen bond donor count : 1 Electric dipole moment : 2.344
XLogP : 1.858 VDW volume : 159.140697
Molecular weight : 150.104465 HOMO-LUMO gap : 9.509000
Herb list :
Refrences & Litretures:
  
136.      Journal:'J. Essent. Oil Res'      Year:'2006'      Volume:'18'      Page:'164'      DOI:'10.1080/10412905.2006.9699055'      Title:'Essential Oil Composition of Lallemantia iberica Fisch. et C.A. Mey'
154.      Journal:'Flavour Fragr. J'      Year:'1997'      Volume:'12'      Page:'71'      DOI:''      Title:'Constituents of the Essential Oil of Achillea eriophora DC'
456.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'781'      DOI:'10.1080/0972060X.2013.813275'      Title:'Chemical Composition of the Essential Oil of Nigella sativa Seeds Extracted by Microwave Steam Distillation'
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