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ScientificNameLabel
Coumaryl alcohol
PHCD compound ID : 1642
Chemical Names :
Coumaryl alcohol
Molecular Formula : C9H10O2
Molecular Weight : 150.06808
More Details :
Names & Synonyms: 4-[(E)-3-hydroxyprop-1-enyl]phenol , 4-[(E)-3-oxidanylprop-1-enyl]phenol
Smiles: OC/C=C/c1ccc(cc1)O
InChi : InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+
InChi Key : InChIKey=PTNLHDGQWUGONS-OWOJBTEDSA-N
PubChem ID : 5280535
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.950019
Hydrogen bond donor count : 2 Electric dipole moment : 1.807
XLogP : 0.655 VDW volume : 147.99848
Molecular weight : 150.06808 HOMO-LUMO gap : 8.734000
Herb list :
Refrences & Litretures:
  
183.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'543'      DOI:'10.1080/0972060X.2011.10643971'      Title:'Chemical Compositions of Salix aegyptiaca. L. Obtained by Simultaneous Hydrodistilation and Extraction'
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