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ScientificNameLabel
terpin hydrat
PHCD compound ID : 2158
Chemical Names :
terpin hydrat
Molecular Formula : C10H22O3
Molecular Weight : 172.14633
More Details :
Names & Synonyms: 4-(1-hydroxy-1-methyl-ethyl)-1-methyl-cyclohexanol;hydrate , 4-(2-hydroxypropan-2-yl)-1-methyl-1-cyclohexanol;hydrate , 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol;hydrate , 1-methyl-4-(2-oxidanylpropan-2-yl)cyclohexan-1-ol;hydrate
Smiles: C[C@]1(O)CC[C@H](CC1)C(O)(C)C.O
InChi : InChI=1S/C10H20O2.H2O/c1-9(2,11)8-4-6-10(3,12)7-5-8;/h8,11-12H,4-7H2,1-3H3;1H2/t8-,10+;
InChi Key : InChIKey=JGKJMBOJWVAMIJ-OFAZAQPOSA-N
PubChem ID : 17141
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.839216
Hydrogen bond donor count : 2 Electric dipole moment : 4.551
XLogP : 1.577 VDW volume : 186.7403
Molecular weight : 172.14633 HOMO-LUMO gap : 12.251000
Herb list :
Refrences & Litretures:
  
257.      Journal:'J. Agric. Food Chem'      Year:'2012'      Volume:'60'      Page:'9097'      DOI:'10.1021/jf301800x'      Title:'Antioxidant Activities of Extracts from Teas Prepared from Medicinal Plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata, and Their Volatile Components'
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