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ScientificNameLabel
Benzene propanoic
PHCD compound ID : 1165
Chemical Names :
Benzene propanoic , 3-Phenylpropanoic acid , 3-Phenylpropionic , 3-Phenylpropionic acid , Benzenepropionic acid , Benzenepropanoic acid
Molecular Formula : C9H10O2
Molecular Weight : 150.06808
More Details :
Names & Synonyms: 3-phenylpropanoic acid , hydrocinnamic acid
Smiles: OC(=O)CCc1ccccc1
InChi : InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChi Key : InChIKey=XMIIGOLPHOKFCH-UHFFFAOYSA-N
PubChem ID : 107
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.759489
Hydrogen bond donor count : 1 Electric dipole moment : 1.665
XLogP : 1.633 VDW volume : 147.99848
Molecular weight : 150.06808 HOMO-LUMO gap : 9.808000
Herb list :
Refrences & Litretures:
  
119.      Journal:'World Appl. Sci. J'      Year:'2011'      Volume:'17'      Page:'67'      DOI:''      Title:'GC-MS Analysis of Various Extracts from Leaf of Plantago major Used as Traditional Medicine'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
320.      Journal:'Journal of Chemical Ecology'      Year:'1994'      Volume:'20'      Page:'21'      DOI:''      Title:'PHYTOTOXIC SUBSTANCES IN ROOT EXUDATES OF CUCUMBER (Cucumis sativus L.)'
535.      Journal:'Journal of Food Composition and Analysis'      Year:'2010'      Volume:'23'      Page:'706'      DOI:'10.1016/j.jfca.2010.02.008'      Title:'Phenolic, alpha-tocopherol, beta-carotene and fatty acid composition of four promising jujube (Ziziphus jujuba Miller) selections'
571.      Journal:'International Journal of Agriculture and Forestry'      Year:'2014'      Volume:'4'      Page:'300'      DOI:'10.5923/j.ijaf.20140404.06'      Title:'Investigation of Vermicompost Fertilizer Effect on Chemical Composition of Essential Oil of Ziziphora tenuior in Weather Conditions of Kahnoojin Iran'
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