Methyl propanoate

ScientificNameLabel

Methyl propanoate
PHCD compound ID :	2301
Chemical Names :	Methyl propanoate
Molecular Formula :	C4H8O2
Molecular Weight :	88.052429

More Details :

Names & Synonyms:	methyl propanoate , propanoic acid methyl ester , propionic acid methyl ester
Smiles:	CCC(=O)OC
InChi :	InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3
InChi Key :	InChIKey=RJUFJBKOKNCXHH-UHFFFAOYSA-N
PubChem ID :	11124

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.818549
Hydrogen bond donor count :	0	Electric dipole moment :	1.748
XLogP :	0.494	VDW volume :	92.684392
Molecular weight :	88.052429	HOMO-LUMO gap :	11.953000

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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