5-methyl-2(3H)-furanone

ScientificNameLabel

5-methyl-2(3H)-furanone
PHCD compound ID :	2191
Chemical Names :	5-methyl-2(3H)-furanone
Molecular Formula :	C5H6O2
Molecular Weight :	98.036779

More Details :

Names & Synonyms:	5-methyl-3H-furan-2-one
Smiles:	O=C1CC=C(O1)C
InChi :	InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3
InChi Key :	InChIKey=QOTQFLOTGBBMEX-UHFFFAOYSA-N
PubChem ID :	11559

Rotatable bond count :	0	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.769979
Hydrogen bond donor count :	0	Electric dipole moment :	3.720
XLogP :	0.524	VDW volume :	94.987459
Molecular weight :	98.036779	HOMO-LUMO gap :	10.131000

Herb list :

white mulberry - Morus alba - توت سفید، توت هراتی

Refrences & Litretures:


257. Journal:'J. Agric. Food Chem' Year:'2012' Volume:'60' Page:'9097' DOI:'10.1021/jf301800x' Title:'Antioxidant Activities of Extracts from Teas Prepared from Medicinal Plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata, and Their Volatile Components'

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