Isobutric acid

ScientificNameLabel

Isobutric acid
PHCD compound ID :	4768
Chemical Names :	Isobutric acid
Molecular Formula :	C4H7O2
Molecular Weight :	87.044604

More Details :

Names & Synonyms:	2-methylpropanoate , isobutyrate
Smiles:	CC(C(=O)[O-])C
InChi :	InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)/p-1
InChi Key :	InChIKey=KQNPFQTWMSNSAP-UHFFFAOYSA-M
PubChem ID :	165337

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	4.082464
Hydrogen bond donor count :	0	Electric dipole moment :	6.642
XLogP :	-0.015	VDW volume :	91.366163
Molecular weight :	87.044604	HOMO-LUMO gap :	11.783000

Herb list :

True lavender - Lavandula officinalis - اسطوخودوس

Refrences & Litretures:


760. Journal:'International Journal of ChemTech Research' Year:'2014' Volume:'6' Page:'4918' DOI:'' Title:'Chemical composition and fungitoxic activities of Lavandula officinalis L. oil and comparison with synthetic fungicide on the growth some fungi in vitro'

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