1,3-indandione

ScientificNameLabel

1,3-indandione
PHCD compound ID :	2483
Chemical Names :	1,3-indandione
Molecular Formula :	C9H6O2
Molecular Weight :	146.036779

More Details :

Names & Synonyms:	indane-1,3-dione , indene-1,3-dione , indane-1,3-quinone
Smiles:	O=C1CC(=O)c2c1cccc2
InChi :	InChI=1S/C9H6O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4H,5H2
InChi Key :	InChIKey=UHKAJLSKXBADFT-UHFFFAOYSA-N
PubChem ID :	11815

Rotatable bond count :	0	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.477651
Hydrogen bond donor count :	0	Electric dipole moment :	2.577
XLogP :	0.109	VDW volume :	133.005563
Molecular weight :	146.036779	HOMO-LUMO gap :	9.231000

Herb list :

Henna - Lawsonia inermis - حنا

Refrences & Litretures:


287. Journal:'Orient. J. Chem' Year:'2013' Volume:'29' Page:'1129' DOI:'10.13005/ojc/290339' Title:'Chemical Investigation of Lawsonia inermis L. Leaves from Afar Region, Ethiopia'

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