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ScientificNameLabel
n-Propyl-3,4-dioxymethylene benzene
PHCD compound ID : 3416
Chemical Names :
n-Propyl-3,4-dioxymethylene benzene
Molecular Formula : C10H12O2
Molecular Weight : 164.08373
More Details :
Names & Synonyms:
Smiles: CCCc1ccc2c(c1)OCO2
InChi : InChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3
InChi Key : InChIKey=MYEIDJPOUKASEC-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.699323
Hydrogen bond donor count : 0 Electric dipole moment : 0.493
XLogP : 2.648 VDW volume : 155.574465
Molecular weight : 164.08373 HOMO-LUMO gap : 8.771000
Herb list :
Refrences & Litretures:
  
476.      Journal:'J. Pharm. BioSci'      Year:'2014'      Volume:'1'      Page:'1'      DOI:''      Title:'Phytochemical investigation of the aerial parts of Fumaria parviflora Lam'
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