Methyl p-anisate

ScientificNameLabel

Methyl p-anisate
PHCD compound ID :	3059
Chemical Names :	Methyl p-anisate
Molecular Formula :	C9H10O3
Molecular Weight :	166.062994

More Details :

Names & Synonyms:	methyl 4-methoxybenzoate , 4-methoxybenzoic acid methyl ester
Smiles:	COc1ccc(cc1)C(=O)OC
InChi :	InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
InChi Key :	InChIKey=DDIZAANNODHTRB-UHFFFAOYSA-N
PubChem ID :	8499

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	9.391089
Hydrogen bond donor count :	0	Electric dipole moment :	3.827
XLogP :	0.91	VDW volume :	156.788707
Molecular weight :	166.062994	HOMO-LUMO gap :	8.974000

Herb list :

Hyssop - Hyssopus angustifolius - زوفا

Refrences & Litretures:


395. Journal:'Journal of Essential Oil Bearing Plants' Year:'2009' Volume:'12' Page:'111' DOI:'10.1080/0972060X.2009.10643700' Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Hyssopus angustifolius M.B'

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