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1,2-Dimethyl-4-formyl-1-cyclohexene
PHCD compound ID : 3305
Chemical Names :
1,2-Dimethyl-4-formyl-1-cyclohexene
Molecular Formula : C9H14O1
Molecular Weight : 138.104465
More Details :
Names & Synonyms: 3,4-dimethylcyclohex-3-ene-1-carbaldehyde , 3,4-dimethyl-1-cyclohex-3-enecarboxaldehyde
Smiles: O=C[C@H]1CCC(=C(C1)C)C
InChi : InChI=1S/C9H14O/c1-7-3-4-9(6-10)5-8(7)2/h6,9H,3-5H2,1-2H3/t9-/m0/s1
InChi Key : InChIKey=NOJNKSAQZMVMFF-VIFPVBQESA-N
PubChem ID : 537551
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.150188
Hydrogen bond donor count : 0 Electric dipole moment : 3.480
XLogP : 1.855 VDW volume : 155.381171
Molecular weight : 138.104465 HOMO-LUMO gap : 10.000000
Herb list :
Refrences & Litretures:
  
449.      Journal:'Molecules'      Year:'2010'      Volume:'15'      Page:'6411'      DOI:'10.3390/molecules15096411'      Title:'Chemical Analysis and Biological Activity of the Essential Oils of Two Valerianaceous Species from China: Nardostachys chinensis and Valeriana officinalis'
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