Methyl 2-nonyonate

ScientificNameLabel

Methyl 2-nonyonate
PHCD compound ID :	4470
Chemical Names :	Methyl 2-nonyonate
Molecular Formula :	C10H16O2
Molecular Weight :	168.11503

More Details :

Names & Synonyms:	methyl non-2-ynoate , 2-nonynoic acid methyl ester , non-2-ynoic acid methyl ester
Smiles:	CCCCCCC#CC(=O)OC
InChi :	InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-7H2,1-2H3
InChi Key :	InChIKey=NTLJTUMJJWVCTL-UHFFFAOYSA-N
PubChem ID :	8137

Rotatable bond count :	5	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.882161
Hydrogen bond donor count :	0	Electric dipole moment :	3.021
XLogP :	3.855	VDW volume :	191.187382
Molecular weight :	168.11503	HOMO-LUMO gap :	10.966000

Herb list :

Sweet wormwood - Artemisia annua - گندواش، درمنه خزری، درمنه یکساله

Refrences & Litretures:


659. Journal:'Industrial Crops and Products' Year:'2012' Volume:'37' Page:'479' DOI:'10.1016/j.indcrop.2011.07.024' Title:'Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia'

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