butyrate

ScientificNameLabel

butyrate
PHCD compound ID :	4298
Chemical Names :	butyrate
Molecular Formula :	C4H7O2
Molecular Weight :	87.044604

More Details :

Names & Synonyms:	butanoate , butyrate
Smiles:	[O-]C(=O)CCC
InChi :	InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1
InChi Key :	InChIKey=FERIUCNNQQJTOY-UHFFFAOYSA-M
PubChem ID :	104775

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	4.167506
Hydrogen bond donor count :	0	Electric dipole moment :	6.928
XLogP :	0.261	VDW volume :	91.366163
Molecular weight :	87.044604	HOMO-LUMO gap :	11.897000

Herb list :

Coriander, Cellender - Coriandrum sativum - گشنیز

Refrences & Litretures:


621. Journal:'Acta Chim. Slov' Year:'2012' Volume:'59' Page:'803' DOI:'' Title:'Comparison of Different Extraction Methods for the Determination of Essential oils and Related Compounds from Coriander (Coriandrum sativum L.)'

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