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ScientificNameLabel
Methylparaben
PHCD compound ID : 3806
Chemical Names :
Methylparaben
Molecular Formula : C8H8O3
Molecular Weight : 152.047344
More Details :
Names & Synonyms: methyl 4-hydroxybenzoate , 4-hydroxybenzoic acid methyl ester , methyl 4-oxidanylbenzoate , methylparaben
Smiles: COC(=O)c1ccc(cc1)O
InChi : InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
InChi Key : InChIKey=LXCFILQKKLGQFO-UHFFFAOYSA-N
PubChem ID : 7456
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.651647
Hydrogen bond donor count : 1 Electric dipole moment : 1.508
XLogP : 0.589 VDW volume : 139.492722
Molecular weight : 152.047344 HOMO-LUMO gap : 9.099000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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