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ScientificNameLabel
Triplal
PHCD compound ID : 3892
Chemical Names :
Triplal
Molecular Formula : C9H14O1
Molecular Weight : 138.104465
More Details :
Names & Synonyms: 2,4-dimethylcyclohex-3-ene-1-carbaldehyde , 2,4-dimethyl-1-cyclohex-3-enecarboxaldehyde
Smiles: C[C@H]1C=C(C)CC[C@@H]1C=O
InChi : InChI=1S/C9H14O/c1-7-3-4-9(6-10)8(2)5-7/h5-6,8-9H,3-4H2,1-2H3/t8-,9+/m0/s1
InChi Key : InChIKey=MZZRKEIUNOYYDF-DTWKUNHWSA-N
PubChem ID : 93375
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.431127
Hydrogen bond donor count : 0 Electric dipole moment : 3.396
XLogP : 2.297 VDW volume : 155.381171
Molecular weight : 138.104465 HOMO-LUMO gap : 10.273000
Herb list :
Refrences & Litretures:
  
527.      Journal:'International Scholarly Research Network'      Year:'2012'      Volume:''      Page:'591953'      DOI:'10.5402/2012/591953'      Title:'Chemical Composition and Antimicrobial Activities of Essential Oils from Nepeta cataria L. against Common Causes of Food-Borne Infections'
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