Methyl 2-furoate

ScientificNameLabel

Methyl 2-furoate
PHCD compound ID :	4790
Chemical Names :	Methyl 2-furoate
Molecular Formula :	C6H6O3
Molecular Weight :	126.031694

More Details :

Names & Synonyms:	methyl furan-2-carboxylate , 2-furancarboxylic acid methyl ester , furan-2-carboxylic acid methyl ester
Smiles:	COC(=O)c1ccco1
InChi :	InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
InChi Key :	InChIKey=HDJLSECJEQSPKW-UHFFFAOYSA-N
PubChem ID :	11902

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	9.944000
Hydrogen bond donor count :	0	Electric dipole moment :	2.106
XLogP :	0.658	VDW volume :	107.537212
Molecular weight :	126.031694	HOMO-LUMO gap :	9.399000

Herb list :

Bistort, Dragonwort - Polygonum bistorta - هفت بند اروپائی، انجبار

Refrences & Litretures:


772. Journal:'Journal of Essential Oil Bearing Plants' Year:'2012' Volume:'15' Page:'964' DOI:'10.1080/0972060X.2012.10662600' Title:'Difference in Essential Oil Composition of Rhizome of Polygonum bistorta L. from Different Asian Regions and Evaluation of its Antibacterial Activity'

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