2-Methylpent-2-enoic acid

ScientificNameLabel

2-Methylpent-2-enoic acid
PHCD compound ID :	2225
Chemical Names :	2-Methylpent-2-enoic acid
Molecular Formula :	C6H10O2
Molecular Weight :	114.06808

More Details :

Names & Synonyms:	2-methylpent-2-enoic acid , 2-methyl-2-pentenoic acid
Smiles:	C/C(=C\CC)/C(=O)O
InChi :	InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+
InChi Key :	InChIKey=JJYWRQLLQAKNAD-SNAWJCMRSA-N
PubChem ID :	18458

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.162070
Hydrogen bond donor count :	1	Electric dipole moment :	2.987
XLogP :	1.381	VDW volume :	124.639902
Molecular weight :	114.06808	HOMO-LUMO gap :	10.046000

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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