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6,7-dimethoxy-m-cymene
PHCD compound ID : 3316
Chemical Names :
6,7-dimethoxy-m-cymene
Molecular Formula : C12H18O2
Molecular Weight : 194.13068
More Details :
Names & Synonyms: 4-isopropyl-1-methoxy-2-(methoxymethyl)benzene , 1-methoxy-2-(methoxymethyl)-4-propan-2-ylbenzene , 1-methoxy-2-(methoxymethyl)-4-propan-2-yl-benzene
Smiles: COCc1cc(ccc1OC)C(C)C
InChi : InChI=1S/C12H18O2/c1-9(2)10-5-6-12(14-4)11(7-10)8-13-3/h5-7,9H,8H2,1-4H3
InChi Key : InChIKey=WMZSSQXSRIEJGC-UHFFFAOYSA-N
PubChem ID : 68174328
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.590009
Hydrogen bond donor count : 0 Electric dipole moment : 1.628
XLogP : 2.29 VDW volume : 202.522893
Molecular weight : 194.13068 HOMO-LUMO gap : 9.004000
Herb list :
Refrences & Litretures:
  
452.      Journal:'J. Agric. Food Chem'      Year:'2004'      Volume:'52'      Page:'3915'      DOI:'10.1021/jf0353990'      Title:'Essential Oil of Valeriana officinalis L. Cultivars and Their Antimicrobial Activity As Influenced by Harvesting Time under Commercial Organic Cultivation'
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