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ScientificNameLabel
2-methylbutylbenzoate
PHCD compound ID : 4089
Chemical Names :
2-methylbutylbenzoate
Molecular Formula : C12H16O2
Molecular Weight : 192.11503
More Details :
Names & Synonyms: 2-methylbutyl benzoate , benzoic acid 2-methylbutyl ester
Smiles: CC[C@@H](COC(=O)c1ccccc1)C
InChi : InChI=1S/C12H16O2/c1-3-10(2)9-14-12(13)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-/m0/s1
InChi Key : InChIKey=PYZHESNNAPENLQ-JTQLQIEISA-N
PubChem ID : 103653
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.117604
Hydrogen bond donor count : 0 Electric dipole moment : 2.360
XLogP : 2.95 VDW volume : 199.886434
Molecular weight : 192.11503 HOMO-LUMO gap : 9.571000
Herb list :
Refrences & Litretures:
  
563.      Journal:'??????'      Year:'2009'      Volume:'31'      Page:'77'      DOI:''      Title:'Essential Oil Compositions and Bioactivities of the Various Pa r t s of Cinnamomum camphora Sieb. var. linaloolifera Fujuta'
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