o-Allyltoluene

ScientificNameLabel

o-Allyltoluene
PHCD compound ID :	4320
Chemical Names :	o-Allyltoluene
Molecular Formula :	C10H12
Molecular Weight :	132.0939

More Details :

Names & Synonyms:	1-allyl-2-methyl-benzene , 1-methyl-2-prop-2-enylbenzene , 1-methyl-2-prop-2-enyl-benzene
Smiles:	C=CCc1ccccc1C
InChi :	InChI=1S/C10H12/c1-3-6-10-8-5-4-7-9(10)2/h3-5,7-8H,1,6H2,2H3
InChi Key :	InChIKey=SVIHJJUMPAUQNO-UHFFFAOYSA-N
PubChem ID :	15317

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	0	Ionization potential :	9.294475
Hydrogen bond donor count :	0	Electric dipole moment :	0.598
XLogP :	3.722	VDW volume :	147.714011
Molecular weight :	132.0939	HOMO-LUMO gap :	9.611000

Herb list :

Damask rose, Persian rose - Rosa damascena - گل محمدی، گل گلاب

Refrences & Litretures:


634. Journal:'Chemistry of Natural Compounds' Year:'2009' Volume:'45' Page:'110' DOI:'' Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Rosa damascena FROM TWO DIFFERENT LOCATIONS IN IRAN'

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