tert-butyl propanoate

ScientificNameLabel

tert-butyl propanoate
PHCD compound ID :	3375
Chemical Names :	tert-butyl propanoate
Molecular Formula :	C7H13O2
Molecular Weight :	129.091555

More Details :

Names & Synonyms:	tert-butyl propanoate , propanoic acid tert-butyl ester , propionic acid tert-butyl ester
Smiles:	C[CH]C(=O)OC(C)(C)C
InChi :	InChI=1S/C7H13O2/c1-5-6(8)9-7(2,3)4/h5H,1-4H3
InChi Key :	InChIKey=ZPNUKUGQKRDNKE-UHFFFAOYSA-N
PubChem ID :	57983621

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.680916
Hydrogen bond donor count :	0	Electric dipole moment :	1.551
XLogP :	1.938	VDW volume :	143.254116
Molecular weight :	129.091555	HOMO-LUMO gap :	11.152000

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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