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ScientificNameLabel
ethyl 9-(2',5'-dihydroxyphenyl) nonanoate
PHCD compound ID : 5547
Chemical Names :
ethyl 9-(2',5'-dihydroxyphenyl) nonanoate
Molecular Formula : C17H26O4
Molecular Weight : 294.183109
More Details :
Names & Synonyms: ethyl 9-(2,5-dihydroxyphenyl)nonanoate , 9-(2,5-dihydroxyphenyl)nonanoic acid ethyl ester , ethyl 9-[2,5-bis(oxidanyl)phenyl]nonanoate , 9-(2,5-dihydroxyphenyl)pelargonic acid ethyl ester
Smiles: CCOC(=O)CCCCCCCCc1cc(O)ccc1O
InChi : InChI=1S/C17H26O4/c1-2-21-17(20)10-8-6-4-3-5-7-9-14-13-15(18)11-12-16(14)19/h11-13,18-19H,2-10H2,1H3
InChi Key : InChIKey=HFWXFODSEPKDFR-UHFFFAOYSA-N
PubChem ID : 91544169
Rotatable bond count : 11 Rule of five : 1
Hydrogen bond acceptor count : 4 Ionization potential : 8.294854
Hydrogen bond donor count : 2 Electric dipole moment : 3.619
XLogP : 4.152 VDW volume : 303.946811
Molecular weight : 294.183109 HOMO-LUMO gap : 8.518000
Herb list :
Refrences & Litretures:
  
936.      Journal:'Journal of Asian Natural Products Research'      Year:'2010'      Volume:'12'      Page:'286'      DOI:'10.1080/10286021003743861'      Title:'Three new compounds from Arnebia euchroma'
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