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ScientificNameLabel
edulan
PHCD compound ID : 4617
Chemical Names :
edulan
Molecular Formula : C13H20O1
Molecular Weight : 192.151415
More Details :
Names & Synonyms: 2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromene , 2,5,5,8a-tetramethyl-3,6-dihydro-2H-1-benzopyran
Smiles: C[C@@H]1CC=C2[C@](O1)(C)C=CCC2(C)C
InChi : InChI=1S/C13H20O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h5,7,9-10H,6,8H2,1-4H3/t10-,13+/m1/s1
InChi Key : InChIKey=HUXGOQHTDHIKSS-MFKMUULPSA-N
PubChem ID : 521066
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.336050
Hydrogen bond donor count : 0 Electric dipole moment : 1.532
XLogP : 2.763 VDW volume : 212.208651
Molecular weight : 192.151415 HOMO-LUMO gap : 10.423000
Herb list :
Refrences & Litretures:
  
715.      Journal:'Z Naturforsch C'      Year:'2005'      Volume:'60'      Page:'369'      DOI:''      Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'
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