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ScientificNameLabel
Isopropyl acetate
PHCD compound ID : 2269
Chemical Names :
Isopropyl acetate
Molecular Formula : C5H10O2
Molecular Weight : 102.06808
More Details :
Names & Synonyms: isopropyl acetate , acetic acid propan-2-yl ester , propan-2-yl acetate , propan-2-yl ethanoate , acetic acid isopropyl ester
Smiles: CC(OC(=O)C)C
InChi : InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
InChi Key : InChIKey=JMMWKPVZQRWMSS-UHFFFAOYSA-N
PubChem ID : 7915
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.770364
Hydrogen bond donor count : 0 Electric dipole moment : 2.206
XLogP : 1.124 VDW volume : 109.980377
Molecular weight : 102.06808 HOMO-LUMO gap : 11.988000
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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