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ScientificNameLabel
4-Methylbenzoic acid
PHCD compound ID : 2359
Chemical Names :
4-Methylbenzoic acid
Molecular Formula : C8H8O2
Molecular Weight : 136.052429
More Details :
Names & Synonyms: 4-methylbenzoic acid , p-toluic acid
Smiles: OC(=O)c1ccc(cc1)C
InChi : InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
InChi Key : InChIKey=LPNBBFKOUUSUDB-UHFFFAOYSA-N
PubChem ID : 7470
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.961011
Hydrogen bond donor count : 1 Electric dipole moment : 3.098
XLogP : 1.374 VDW volume : 130.702496
Molecular weight : 136.052429 HOMO-LUMO gap : 9.340000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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