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ScientificNameLabel
Vanillyl alcohol
PHCD compound ID : 4661
Chemical Names :
Vanillyl alcohol
Molecular Formula : C8H10O3
Molecular Weight : 154.062994
More Details :
Names & Synonyms: 4-(hydroxymethyl)-2-methoxy-phenol , 4-(hydroxymethyl)-2-methoxyphenol , 2-methoxy-4-methylol-phenol
Smiles: COc1cc(CO)ccc1O
InChi : InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3
InChi Key : InChIKey=ZENOXNGFMSCLLL-UHFFFAOYSA-N
PubChem ID : 62348
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.659559
Hydrogen bond donor count : 2 Electric dipole moment : 1.229
XLogP : 0.119 VDW volume : 142.129181
Molecular weight : 154.062994 HOMO-LUMO gap : 8.660000
Herb list :
Refrences & Litretures:
  
739.      Journal:'J Sci Food Agric'      Year:'2000'      Volume:'80'      Page:'289'      DOI:'10.1002/1097-0010'      Title:'Vanilla flavour: production by conventional and biotechnological routes'
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