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ScientificNameLabel
p-dimethyl,acetal Anisaldehyde
PHCD compound ID : 5346
Chemical Names :
p-dimethyl,acetal Anisaldehyde
Molecular Formula : C10H14O3
Molecular Weight : 182.094294
More Details :
Names & Synonyms: 1-(dimethoxymethyl)-4-methoxy-benzene , 1-(dimethoxymethyl)-4-methoxybenzene
Smiles: COc1ccc(cc1)C(OC)OC
InChi : InChI=1S/C10H14O3/c1-11-9-6-4-8(5-7-9)10(12-2)13-3/h4-7,10H,1-3H3
InChi Key : InChIKey=NNHYAHOTXLASEA-UHFFFAOYSA-N
PubChem ID : 75140
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.964832
Hydrogen bond donor count : 0 Electric dipole moment : 1.343
XLogP : 0.769 VDW volume : 176.72115
Molecular weight : 182.094294 HOMO-LUMO gap : 9.132000
Herb list :
Refrences & Litretures:
  
873.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2017'      Volume:'20'      Page:'1137'      DOI:'10.1080/0972060X.2017.1359681'      Title:'Essential Oil Composition of Tilia cordata Flowers'
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