2-Methylbut-2-enoic acid

ScientificNameLabel

2-Methylbut-2-enoic acid
PHCD compound ID :	2223
Chemical Names :	2-Methylbut-2-enoic acid
Molecular Formula :	C5H8O2
Molecular Weight :	100.052429

More Details :

Names & Synonyms:	(E)-2-methylbut-2-enoic acid , (E)-2-methyl-2-butenoic acid
Smiles:	C/C(=C\C)/C(=O)O
InChi :	InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+
InChi Key :	InChIKey=UIERETOOQGIECD-ONEGZZNKSA-N
PubChem ID :	125468

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.186019
Hydrogen bond donor count :	1	Electric dipole moment :	2.515
XLogP :	0.917	VDW volume :	107.343918
Molecular weight :	100.052429	HOMO-LUMO gap :	10.074000

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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