butyl propanoate

ScientificNameLabel

butyl propanoate
PHCD compound ID :	3376
Chemical Names :	butyl propanoate
Molecular Formula :	C7H14O2
Molecular Weight :	130.09938

More Details :

Names & Synonyms:	butyl propanoate , propanoic acid butyl ester , propionic acid butyl ester
Smiles:	CCCCOC(=O)CC
InChi :	InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3
InChi Key :	InChIKey=BTMVHUNTONAYDX-UHFFFAOYSA-N
PubChem ID :	11529

Rotatable bond count :	5	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.721262
Hydrogen bond donor count :	0	Electric dipole moment :	2.012
XLogP :	1.844	VDW volume :	144.572346
Molecular weight :	130.09938	HOMO-LUMO gap :	11.930000

Herb list :

apple - Malus domestica - سیب

Refrences & Litretures:


463. Journal:'J. Agric. Food Chem' Year:'2007' Volume:'55' Page:'6087' DOI:'10.1021/jf070464h' Title:'Volatile Emission after Controlled Atmosphere Storage of Mondial Gala Apples (Malus domestica): Relationship to Some Involved Enzyme Activities'

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