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ScientificNameLabel
Carane
PHCD compound ID : 1125
Chemical Names :
Carane
Molecular Formula : C10H18
Molecular Weight : 138.140851
More Details :
Names & Synonyms: 3,7,7-trimethylnorcarane , 4,7,7-trimethylbicyclo[4.1.0]heptane
Smiles: C[C@H]1CC[C@H]2[C@@H](C1)C2(C)C
InChi : InChI=1S/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9+/m0/s1
InChi Key : InChIKey=BWRHOYDPVJPXMF-XHNCKOQMSA-N
PubChem ID : 79043
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.853704
Hydrogen bond donor count : 0 Electric dipole moment : 0.229
XLogP : 5.143 VDW volume : 156.803388
Molecular weight : 138.140851 HOMO-LUMO gap : 12.618000
Herb list :
Refrences & Litretures:
  
115.      Journal:'Asian Pac J Trop Biomed'      Year:'2015'      Volume:'5'      Page:'458'      DOI:''      Title:'Phytochemistry of the essential oil of Melissa officinalis L. growing wild in Morocco: Preventive approach against nosocomial infections'
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