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ScientificNameLabel
1-Methyladamantane
PHCD compound ID : 4082
Chemical Names :
1-Methyladamantane
Molecular Formula : C11H18
Molecular Weight : 150.140851
More Details :
Names & Synonyms: 1-methyladamantane
Smiles: C[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3
InChi : InChI=1S/C11H18/c1-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3/t8-,9+,10-,11+
InChi Key : InChIKey=UZUCFTVAWGRMTQ-DTIDVZRVSA-N
PubChem ID : 136607
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.129640
Hydrogen bond donor count : 0 Electric dipole moment : 0.126
XLogP : 5.372 VDW volume : 161.742913
Molecular weight : 150.140851 HOMO-LUMO gap : 14.013000
Herb list :
Refrences & Litretures:
  
560.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'213'      DOI:'10.1080/0972060X.2012.10644038'      Title:'Chemical Composition of Essential Oil of Aerial Parts of Cichorium intybus L. from Iran'
856.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2018'      Volume:'21'      Page:'1119'      DOI:'10.1080/0972060X.2018.1505555'      Title:'Evaluation of Chemical Composition and Antibacterial Properties of Froriepia subpinnta Essential Oils from Guilan Region: Before and After Flowering'
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