Homocatechol

ScientificNameLabel

Homocatechol
PHCD compound ID :	4794
Chemical Names :	Homocatechol
Molecular Formula :	C7H8O2
Molecular Weight :	124.052429

More Details :

Names & Synonyms:	4-methylbenzene-1,2-diol , 4-methylpyrocatechol
Smiles:	Cc1ccc(c(c1)O)O
InChi :	InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
InChi Key :	InChIKey=ZBCATMYQYDCTIZ-UHFFFAOYSA-N
PubChem ID :	9958

Rotatable bond count :	0	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	8.764644
Hydrogen bond donor count :	2	Electric dipole moment :	2.099
XLogP :	1.475	VDW volume :	116.04297
Molecular weight :	124.052429	HOMO-LUMO gap :	8.821000

Herb list :

Bistort, Dragonwort - Polygonum bistorta - هفت بند اروپائی، انجبار

Refrences & Litretures:


772. Journal:'Journal of Essential Oil Bearing Plants' Year:'2012' Volume:'15' Page:'964' DOI:'10.1080/0972060X.2012.10662600' Title:'Difference in Essential Oil Composition of Rhizome of Polygonum bistorta L. from Different Asian Regions and Evaluation of its Antibacterial Activity'

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

Follow us