Methyl vanillate

ScientificNameLabel

Methyl vanillate
PHCD compound ID :	1640
Chemical Names :	Methyl vanillate
Molecular Formula :	C9H10O4
Molecular Weight :	182.057909

More Details :

Names & Synonyms:	methyl 4-hydroxy-3-methoxy-benzoate , 4-hydroxy-3-methoxybenzoic acid methyl ester , methyl 4-hydroxy-3-methoxybenzoate , methyl 3-methoxy-4-oxidanyl-benzoate , 4-hydroxy-3-methoxy-benzoic acid methyl ester
Smiles:	COC(=O)c1ccc(c(c1)OC)O
InChi :	InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3
InChi Key :	InChIKey=BVWTXUYLKBHMOX-UHFFFAOYSA-N
PubChem ID :	19844

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	4	Ionization potential :	8.949253
Hydrogen bond donor count :	1	Electric dipole moment :	4.026
XLogP :	0.829	VDW volume :	165.578934
Molecular weight :	182.057909	HOMO-LUMO gap :	8.377000

Herb list :

Egyptian willow - Salix aegyptiaca - بيدمشك

Refrences & Litretures:


183. Journal:'Journal of Essential Oil Bearing Plants' Year:'2011' Volume:'14' Page:'543' DOI:'10.1080/0972060X.2011.10643971' Title:'Chemical Compositions of Salix aegyptiaca. L. Obtained by Simultaneous Hydrodistilation and Extraction'

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