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3,4,5-trimethyl-Phenol
PHCD compound ID : 5506
Chemical Names :
3,4,5-trimethyl-Phenol
Molecular Formula : C9H12O1
Molecular Weight : 136.088815
More Details :
Names & Synonyms: 3,4,5-trimethylphenol
Smiles: Oc1cc(C)c(c(c1)C)C
InChi : InChI=1S/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3
InChi Key : InChIKey=FDQQNNZKEJIHMS-UHFFFAOYSA-N
PubChem ID : 10696
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.723045
Hydrogen bond donor count : 1 Electric dipole moment : 1.995
XLogP : 2.122 VDW volume : 141.844712
Molecular weight : 136.088815 HOMO-LUMO gap : 9.061000
Herb list :
Refrences & Litretures:
  
923.      Journal:'Letters in Applied NanoBioScience'      Year:'2020'      Volume:'9'      Page:'849'      DOI:'10.33263/LIANBS91.849852'      Title:'Chemical composition and antibacterial activity of methanolic extract from Echinops robustus on typical food-borne pathogens'
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