4-oxo-pentanoic acid

ScientificNameLabel

4-oxo-pentanoic acid
PHCD compound ID :	2062
Chemical Names :	4-oxo-pentanoic acid
Molecular Formula :	C5H8O3
Molecular Weight :	116.047344

More Details :

Names & Synonyms:	4-oxopentanoic acid , 4-oxidanylidenepentanoic acid , 4-ketovaleric acid
Smiles:	CC(=O)CCC(=O)O
InChi :	InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
InChi Key :	InChIKey=JOOXCMJARBKPKM-UHFFFAOYSA-N
PubChem ID :	11579

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	10.512610
Hydrogen bond donor count :	1	Electric dipole moment :	1.676
XLogP :	-0.445	VDW volume :	116.134145
Molecular weight :	116.047344	HOMO-LUMO gap :	11.109000

Herb list :

Tamarind, Indian date - Tamarindus indica - تمرهندی

Refrences & Litretures:


245. Journal:'The Pharma Innovation Journal' Year:'2015' Volume:'4' Page:'90' DOI:'' Title:'Chemical composition and antimalarial activity of extracts of Sudanese Tamarindus indica L. (Fabaceae)'

Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.

Follow us