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ScientificNameLabel
3-Methylbutyl formate
PHCD compound ID : 2266
Chemical Names :
3-Methylbutyl formate , 1-Butanol,3-methyl,formate
Molecular Formula : C6H12O2
Molecular Weight : 116.08373
More Details :
Names & Synonyms: isopentyl formate , formic acid 3-methylbutyl ester , 3-methylbutyl formate , 3-methylbutyl methanoate , formic acid isoamyl ester
Smiles: O=COCCC(C)C
InChi : InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3
InChi Key : InChIKey=XKYICAQFSCFURC-UHFFFAOYSA-N
PubChem ID : 8052
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.928391
Hydrogen bond donor count : 0 Electric dipole moment : 2.007
XLogP : 1.863 VDW volume : 127.276361
Molecular weight : 116.08373 HOMO-LUMO gap : 11.865000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
447.      Journal:'Asian J Pharm Clin Res'      Year:'2012'      Volume:'2'      Page:'90'      DOI:'10.4103/0974-8490.147223'      Title:'GC-MS ANALYSIS OF CASSIA ITALICA LEAF METHANOL EXTRACT'
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