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ScientificNameLabel
Benzoic acid,2-phenyl ester
PHCD compound ID : 4326
Chemical Names :
Benzoic acid,2-phenyl ester
Molecular Formula : C13H10O2
Molecular Weight : 198.06808
More Details :
Names & Synonyms: phenyl benzoate , benzoic acid phenyl ester
Smiles: O=C(c1ccccc1)Oc1ccccc1
InChi : InChI=1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H
InChi Key : InChIKey=FCJSHPDYVMKCHI-UHFFFAOYSA-N
PubChem ID : 7169
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.441973
Hydrogen bond donor count : 0 Electric dipole moment : 2.325
XLogP : 2.199 VDW volume : 186.016584
Molecular weight : 198.06808 HOMO-LUMO gap : 8.697000
Herb list :
Refrences & Litretures:
  
634.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'110'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Rosa damascena FROM TWO DIFFERENT LOCATIONS IN IRAN'
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