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ScientificNameLabel
Benzoate
PHCD compound ID : 4697
Chemical Names :
Benzoate
Molecular Formula : C7H5O2
Molecular Weight : 121.028954
More Details :
Names & Synonyms: benzoate
Smiles: [O-]C(=O)c1ccccc1
InChi : InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
InChi Key : InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-M
PubChem ID : 242
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 4.805897
Hydrogen bond donor count : 0 Electric dipole moment : 9.412
XLogP : 0.501 VDW volume : 112.088282
Molecular weight : 121.028954 HOMO-LUMO gap : 8.585000
Herb list :
Refrences & Litretures:
  
747.      Journal:'Plant Physiol'      Year:'1991'      Volume:'96'      Page:'1228'      DOI:''      Title:'Effects of Salt Stress on Amino Acid, Organic Acid, and Carbohydrate Composition of Roots, Bacteroids, and Cytosol of Alfalfa (Medicago sativa L.)'
884.      Journal:'Fitoterapia'      Year:'2003'      Volume:'74'      Page:'170'      DOI:'10.1016/S0367-326X(02)00318-0'      Title:'Chemical composition and antifungal properties of essential oils of three Pistacia species'
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