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3-Ethyl-3,4-dihydro-2H-1,3-benzoxazine-2,4-dione
PHCD compound ID : 4133
Chemical Names :
3-Ethyl-3,4-dihydro-2H-1,3-benzoxazine-2,4-dione
Molecular Formula : C10H9N1O3
Molecular Weight : 191.058243
More Details :
Names & Synonyms: 3-ethyl-1,3-benzoxazine-2,4-dione , 3-ethyl-1,3-benzoxazine-2,4-quinone
Smiles: CCn1c(=O)oc2c(c1=O)cccc2
InChi : InChI=1S/C10H9NO3/c1-2-11-9(12)7-5-3-4-6-8(7)14-10(11)13/h3-6H,2H2,1H3
InChi Key : InChIKey=NQWCQSBMFZDDIJ-UHFFFAOYSA-N
PubChem ID : 254962
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 10.001757
Hydrogen bond donor count : 0 Electric dipole moment : 2.463
XLogP : 0.825 VDW volume : 170.088534
Molecular weight : 191.058243 HOMO-LUMO gap : 8.972000
Herb list :
Refrences & Litretures:
  
575.      Journal:'J. Chin. Chem. Soc'      Year:'2013'      Volume:'60'      Page:'649'      DOI:'10.1002/jccs.201300133'      Title:'Improvement of GC-MS Analysis of Shahrbabak Ziziphora tenuior Essential Oil by Using Multivariate Curve Resolution Approaches'
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