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Compound: 5546
Plants: 312
References: 992
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Cinnamyl alcohol
ScientificNameLabel
Cinnamyl alcohol
PHCD compound ID :
2358
Chemical Names :
trans-Cinnamyl alcohol , (E)-cinnamyl alcohol , Cinnamyl alcohol
Molecular Formula :
C9H10O1
Molecular Weight :
134.073165
More Details :
Names & Synonyms:
(E)-3-phenylprop-2-en-1-ol , (E)-3-phenyl-2-propen-1-ol
Smiles:
OC/C=C/c1ccccc1
InChi :
InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+
InChi Key :
InChIKey=OOCCDEMITAIZTP-QPJJXVBHSA-N
PubChem ID :
5315892
Rotatable bond count :
2
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.346769
Hydrogen bond donor count :
1
Electric dipole moment :
1.674
XLogP :
1.791
VDW volume :
139.208254
Molecular weight :
134.073165
HOMO-LUMO gap :
9.134000
Herb list :
Cinnamon - Cinnamomum zeylanicum - دارچین
Strawberry - Fragaria vesca - توت فرنگی
Refrences & Litretures:
262. Journal:'J Sci Food Agric' Year:'1997' Volume:'74' Page:'421' DOI:'' Title:'Strawberry Flavour: Analysis and Biosynthesis'
323. Journal:'J. Agric. Food Chem' Year:'2000' Volume:'48' Page:'4294' DOI:'10.1021/jf991395c' Title:'Chemical Composition of the Flower Oil of Cinnamomum zeylanicum Blume'
324. Journal:'Flavour Fragr. J' Year:'1997' Volume:'12' Page:'331' DOI:'' Title:'Chemical Composition of the Volatile Oil from the Fruits of Cinnamomum zeylanicum Blume'
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