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ScientificNameLabel
Carbamic acid,N-(3-methylphenyl)-,2-methylphenyl ester
PHCD compound ID : 5113
Chemical Names :
Carbamic acid,N-(3-methylphenyl)-,2-methylphenyl ester
Molecular Formula : C15H15N1O2
Molecular Weight : 241.110279
More Details :
Names & Synonyms: o-tolyl N-(m-tolyl)carbamate , N-(3-methylphenyl)carbamic acid (2-methylphenyl) ester , (2-methylphenyl) N-(3-methylphenyl)carbamate , (2-methylphenyl) N-(3-methylphenyl)carbamate , N-(m-tolyl)carbamic acid o-tolyl ester
Smiles: O=C(Oc1ccccc1C)Nc1cccc(c1)C
InChi : InChI=1S/C15H15NO2/c1-11-6-5-8-13(10-11)16-15(17)18-14-9-4-3-7-12(14)2/h3-10H,1-2H3,(H,16,17)
InChi Key : InChIKey=WHEDQXVEJCBBMU-UHFFFAOYSA-N
PubChem ID : 572597
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.959078
Hydrogen bond donor count : 1 Electric dipole moment : 2.472
XLogP : 2.246 VDW volume : 231.605313
Molecular weight : 241.110279 HOMO-LUMO gap : 8.940000
Herb list :
Refrences & Litretures:
  
806.      Journal:'Immunopharmacology and Immunotoxicology'      Year:'2012'      Volume:'34'      Page:'205'      DOI:'10.3109/08923973.2011.592534'      Title:'Chemical composition, antioxidant activity and larvicidal efects of essential oil from leaves of Apium graveolens'
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