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Menthenal isomer
PHCD compound ID : 3322
Chemical Names :
Menthenal isomer
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: 2-(4-methylenecyclohexyl)propanal , 2-(4-methylidenecyclohexyl)propanal , 2-(4-methylenecyclohexyl)propionaldehyde
Smiles: O=C[C@@H](C1CCC(=C)CC1)C
InChi : InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h7,9-10H,1,3-6H2,2H3/t9-/m0/s1
InChi Key : InChIKey=JNRATHVXQNNAQX-VIFPVBQESA-N
PubChem ID : 20242350
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.839895
Hydrogen bond donor count : 0 Electric dipole moment : 3.060
XLogP : 2.915 VDW volume : 172.677156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.528000
Herb list :
Refrences & Litretures:
  
453.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1997'      Volume:'12'      Page:'359'      DOI:''      Title:'Composition of the Essential Oils from Underground Parts of Valeriana o?cinalis L. s.l. and Several Closely Related Taxa'
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