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2,3-Dihydro-5-hydroxy-6-methyl-4(H)-pyran-4-one
ScientificNameLabel
2,3-Dihydro-5-hydroxy-6-methyl-4(H)-pyran-4-one
PHCD compound ID :
3975
Chemical Names :
2,3-Dihydro-5-hydroxy-6-methyl-4(H)-pyran-4-one
Molecular Formula :
C6H8O3
Molecular Weight :
128.047344
More Details :
Names & Synonyms:
5-hydroxy-6-methyl-2,3-dihydropyran-4-one , 6-methyl-5-oxidanyl-2,3-dihydropyran-4-one
Smiles:
O=C1CCOC(=C1O)C
InChi :
InChI=1S/C6H8O3/c1-4-6(8)5(7)2-3-9-4/h8H,2-3H2,1H3
InChi Key :
InChIKey=YTKBKDDTNVNZLX-UHFFFAOYSA-N
PubChem ID :
6429306
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
3
Ionization potential :
8.922618
Hydrogen bond donor count :
1
Electric dipole moment :
4.234
XLogP :
0.662
VDW volume :
121.07367
Molecular weight :
128.047344
HOMO-LUMO gap :
8.776000
Herb list :
Red pepper - Capsicum annuum - فلفل قرمز
Refrences & Litretures:
544. Journal:'International Journal of Food Properties' Year:'2013' Volume:'16' Page:'18' DOI:'10.1080/10942912.2010.513616' Title:'Pakistani Bell Pepper (Capsicum annum L.): Chemical Compositions and its Antioxidant Activity'
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