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2-propenoic acid,2-methyl-cyclohexyl ester
PHCD compound ID : 3023
Chemical Names :
2-propenoic acid,2-methyl-cyclohexyl ester
Molecular Formula : C10H16O2
Molecular Weight : 168.11503
More Details :
Names & Synonyms: cyclohexyl 2-methylprop-2-enoate , 2-methyl-2-propenoic acid cyclohexyl ester , 2-methylacrylic acid cyclohexyl ester
Smiles: O=C(C(=C)C)OC1CCCCC1
InChi : InChI=1S/C10H16O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h9H,1,3-7H2,2H3
InChi Key : InChIKey=OIWOHHBRDFKZNC-UHFFFAOYSA-N
PubChem ID : 7561
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.476285
Hydrogen bond donor count : 0 Electric dipole moment : 2.302
XLogP : 2.542 VDW volume : 181.467382
Molecular weight : 168.11503 HOMO-LUMO gap : 10.513000
Herb list :
Refrences & Litretures:
  
384.      Journal:'Cent. Eur. J. Chem'      Year:'2013'      Volume:'11'      Page:'1699'      DOI:'10.2478/s11532-013-0295-3'      Title:'Antioxidant and chemical properties of Inula helenium root extracts'
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