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ScientificNameLabel
p-anisic acid
PHCD compound ID : 696
Chemical Names :
p-anisic acid
Molecular Formula : C8H8O3
Molecular Weight : 152.047344
More Details :
Names & Synonyms: 4-methoxybenzoic acid , p-anisic acid
Smiles: COc1ccc(cc1)C(=O)O
InChi : InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChi Key : InChIKey=ZEYHEAKUIGZSGI-UHFFFAOYSA-N
PubChem ID : 7478
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.500375
Hydrogen bond donor count : 1 Electric dipole moment : 4.022
XLogP : 0.589 VDW volume : 139.492722
Molecular weight : 152.047344 HOMO-LUMO gap : 8.957000
Herb list :
Refrences & Litretures:
  
45.      Journal:'Can. J. Plant Sci'      Year:'1977'      Volume:'57'      Page:'681'      DOI:''      Title:'ESSENTIAL OILS FROM SPICES GROWN IN ALBERTA. ANISE OIL (PIMPINELLA ANISUM)'
148.      Journal:'Crop Protection'      Year:'2002'      Volume:'21'      Page:'913'      DOI:''      Title:'Screening of allelochemicals on barnyardgrass (Echinochloa crus-galli) and identi?cation of potentially allelopathic compounds from rice (Oryza sativa) variety hull extracts'
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