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ScientificNameLabel
(Z)-methylcinnamate
PHCD compound ID : 2770
Chemical Names :
(Z)-methylcinnamate
Molecular Formula : C10H10O2
Molecular Weight : 162.06808
More Details :
Names & Synonyms: methyl (Z)-3-phenylprop-2-enoate , (Z)-3-phenyl-2-propenoic acid methyl ester , (Z)-3-phenylacrylic acid methyl ester
Smiles: COC(=O)/C=C\c1ccccc1
InChi : InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7-
InChi Key : InChIKey=CCRCUPLGCSFEDV-FPLPWBNLSA-N
PubChem ID : 6428458
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.761543
Hydrogen bond donor count : 0 Electric dipole moment : 2.227
XLogP : 2.208 VDW volume : 162.658006
Molecular weight : 162.06808 HOMO-LUMO gap : 9.525000
Herb list :
Refrences & Litretures:
  
322.      Journal:'Journal of Essential Oil Research'      Year:'2000'      Volume:'12'      Page:'537'      DOI:'10.1080/10412905.2000.9712153'      Title:'Chemical Composition of Leaf Oils of Cinnamomum from Madagascar: C. zeylanicum Blume, C. camphora L., C. fragrans Baillon and C. angustifolium'
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