Prenal

ScientificNameLabel

Prenal
PHCD compound ID :	2816
Chemical Names :	3-Methyl-2-butenal , Prenal
Molecular Formula :	C5H8O1
Molecular Weight :	84.057515

More Details :

Names & Synonyms:	3-methylbut-2-enal , 3-methyl-2-butenal
Smiles:	O=CC=C(C)C
InChi :	InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3
InChi Key :	InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N
PubChem ID :	61020

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.946968
Hydrogen bond donor count :	0	Electric dipole moment :	4.840
XLogP :	0.879	VDW volume :	98.553691
Molecular weight :	84.057515	HOMO-LUMO gap :	9.786000

Herb list :

Church steeple - Agrimonia eupatoria - غافث

Hop - Humulus lupulus - رازک

Refrences & Litretures:


341. Journal:'Journal of Brewing and Distilling' Year:'2011' Volume:'2' Page:'16' DOI:'' Title:'Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing'
536. Journal:'Journal of Analytical Methods in Chemistry' Year:'2013' Volume:'' Page:'246986' DOI:'10.1155/2013/246986' Title:'Comparative Analysis of the Volatile Components of Agrimonia eupatoria from Leaves and Roots by Gas Chromatography-Mass Spectrometry and Multivariate Curve Resolution'

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