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ScientificNameLabel
1-Methylbutyl acetate
PHCD compound ID : 2273
Chemical Names :
1-Methylbutyl acetate
Molecular Formula : C7H14O2
Molecular Weight : 130.09938
More Details :
Names & Synonyms: 1-methylbutyl acetate , acetic acid pentan-2-yl ester , pentan-2-yl acetate , pentan-2-yl ethanoate , acetic acid 1-methylbutyl ester
Smiles: CCC[C@@H](OC(=O)C)C
InChi : InChI=1S/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3/t6-/m0/s1
InChi Key : InChIKey=GQKZRWSUJHVIPE-LURJTMIESA-N
PubChem ID : 12278
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.718030
Hydrogen bond donor count : 0 Electric dipole moment : 2.140
XLogP : 2.051 VDW volume : 144.572346
Molecular weight : 130.09938 HOMO-LUMO gap : 11.950000
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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