Ethyl but-2-enoate

ScientificNameLabel

Ethyl but-2-enoate
PHCD compound ID :	2318
Chemical Names :	Ethyl but-2-enoate
Molecular Formula :	C6H10O2
Molecular Weight :	114.06808

More Details :

Names & Synonyms:	ethyl but-2-enoate , 2-butenoic acid ethyl ester , but-2-enoic acid ethyl ester
Smiles:	CCOC(=O)/C=C/C
InChi :	InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+
InChi Key :	InChIKey=ZFDIRQKJPRINOQ-HWKANZROSA-N
PubChem ID :	12191

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.572276
Hydrogen bond donor count :	0	Electric dipole moment :	2.141
XLogP :	1.48	VDW volume :	124.639902
Molecular weight :	114.06808	HOMO-LUMO gap :	10.521000

Herb list :

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'

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