Butyl formate

ScientificNameLabel

Butyl formate
PHCD compound ID :	2265
Chemical Names :	Butyl formate
Molecular Formula :	C5H10O2
Molecular Weight :	102.06808

More Details :

Names & Synonyms:	butyl formate , formic acid butyl ester , butyl methanoate
Smiles:	CCCCOC=O
InChi :	InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3
InChi Key :	InChIKey=NMJJFJNHVMGPGM-UHFFFAOYSA-N
PubChem ID :	11614

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	11.002009
Hydrogen bond donor count :	0	Electric dipole moment :	2.094
XLogP :	1.355	VDW volume :	109.980377
Molecular weight :	102.06808	HOMO-LUMO gap :	11.901000

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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