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Compound: 5546
Plants: 312
References: 992
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Coumaryl alcohol
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 :
Egyptian willow - Salix aegyptiaca - بيدمشك
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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