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Compound: 5546
Plants: 312
References: 992
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acetone
ScientificNameLabel
acetone
PHCD compound ID :
2260
Chemical Names :
Propanone , 2-Propanone , acetone
Molecular Formula :
C3H6O1
Molecular Weight :
58.041865
More Details :
Names & Synonyms:
acetone , 2-propanone , propan-2-one
Smiles:
CC(=O)C
InChi :
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
InChi Key :
InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N
PubChem ID :
180
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
10.242452
Hydrogen bond donor count :
0
Electric dipole moment :
3.362
XLogP :
0.185
VDW volume :
66.598181
Molecular weight :
58.041865
HOMO-LUMO gap :
11.155000
Herb list :
- Ephedra nebrodensis - ریش بز، ارمک
Alfalfa, Lucerne - Medicago sativa - یونجه
Bistort, Dragonwort - Polygonum bistorta - هفت بند اروپائی، انجبار
Dill - Anethum graveolens - شوید، شبت
Hazel, Filbert - Corylus avellana - فندق
Strawberry - Fragaria vesca - توت فرنگی
Refrences & Litretures:
262. Journal:'J Sci Food Agric' Year:'1997' Volume:'74' Page:'421' DOI:'' Title:'Strawberry Flavour: Analysis and Biosynthesis'
552. Journal:'Radiation Physics and Chemistry' Year:'2009' Volume:'78' Page:'407' DOI:'10.1016/j.radphyschem.2009.03.008' Title:'Effect of ?-irradiation on the physicochemical and sensory properties of hazelnuts (Corylus avellana L.)'
749. Journal:'J. Agric. food Chem' Year:'1983' Volume:'31' Page:'38' DOI:'10.1021/jf00115a010' Title:'Composition of the Essential Oil of Alfalfa'
774. Journal:'Asian Journal of Chemistry' Year:'2011' Volume:'23' Page:'1940' DOI:'' Title:'Analysis of the Essential Oil from the Flower of Polygonum bistorta L. subsp. carneum (Koch)'
796. Journal:'Journal of Food Science' Year:'2005' Volume:'70' Page:'M208' DOI:'10.1111/j.1365-2621.2005.tb07190.x' Title:'Chemical Constituents, Antimicrobial Investigations, and Antioxidative Potentials of Anethum graveolens L. Essential Oil and Acetone Extract: Part 52'
843. Journal:'Journal of Essential Oil Research' Year:'2010' Volume:'22' Page:'354' DOI:'10.1080/10412905.2010.9700344' Title:'Essential Oil Composition of Ephedra nebrodensis Tineo ex Guss. subsp. nebrodensis from Central Italy'
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