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ScientificNameLabel
Phenylethanoic acid methyl ester
PHCD compound ID : 5417
Chemical Names :
Phenylethanoic acid methyl ester
Molecular Formula : C9H10O2
Molecular Weight : 150.06808
More Details :
Names & Synonyms: methyl 2-phenylacetate , 2-phenylacetic acid methyl ester , methyl 2-phenylethanoate
Smiles: COC(=O)Cc1ccccc1
InChi : InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChi Key : InChIKey=CRZQGDNQQAALAY-UHFFFAOYSA-N
PubChem ID : 7559
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.666852
Hydrogen bond donor count : 0 Electric dipole moment : 1.761
XLogP : 1.574 VDW volume : 147.99848
Molecular weight : 150.06808 HOMO-LUMO gap : 9.778000
Herb list :
Refrences & Litretures:
  
895.      Journal:'Pharmaceutical Biology'      Year:'2003'      Volume:'41'      Page:'399'      DOI:'10.1076/phbi.41.6.399.17826'      Title:'Volatile Compounds in Crude Salvadora persica Extracts'
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