Ethylmethyl propanoate

ScientificNameLabel

Ethylmethyl propanoate
PHCD compound ID :	2305
Chemical Names :	Ethylmethyl propanoate
Molecular Formula :	C6H12O2
Molecular Weight :	116.08373

More Details :

Names & Synonyms:	isopropyl propanoate , propanoic acid propan-2-yl ester , propan-2-yl propanoate , propionic acid isopropyl ester
Smiles:	CCC(=O)OC(C)C
InChi :	InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3
InChi Key :	InChIKey=IJMWOMHMDSDKGK-UHFFFAOYSA-N
PubChem ID :	12508

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.629457
Hydrogen bond donor count :	0	Electric dipole moment :	2.001
XLogP :	1.377	VDW volume :	127.276361
Molecular weight :	116.08373	HOMO-LUMO gap :	11.881000

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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