3-buten-2-one

ScientificNameLabel

3-buten-2-one
PHCD compound ID :	2220
Chemical Names :	3-buten-2-one
Molecular Formula :	C4H6O1
Molecular Weight :	70.041865

More Details :

Names & Synonyms:	but-3-en-2-one , 3-buten-2-one
Smiles:	CC(=O)C=C
InChi :	InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3
InChi Key :	InChIKey=FUSUHKVFWTUUBE-UHFFFAOYSA-N
PubChem ID :	6570

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	10.210889
Hydrogen bond donor count :	0	Electric dipole moment :	2.904
XLogP :	0.474	VDW volume :	81.257707
Molecular weight :	70.041865	HOMO-LUMO gap :	10.031000

Herb list :

Strawberry - Fragaria vesca - توت فرنگی

Refrences & Litretures:


261. Journal:'Herba Polonica' Year:'2009' Volume:'55' Page:'153' DOI:'' Title:'Contents and chemical composition of essential oils from wild strawberry (Fragaria vesca L.)'

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