4-Methyl-2-pentenolide

ScientificNameLabel

4-Methyl-2-pentenolide
PHCD compound ID :	2818
Chemical Names :	4-Methyl-2-pentenolide
Molecular Formula :	C6H8O2
Molecular Weight :	112.052429

More Details :

Names & Synonyms:
Smiles:	C[C@@H]1COC(=O)C=C1
InChi :	InChI=1S/C6H8O2/c1-5-2-3-6(7)8-4-5/h2-3,5H,4H2,1H3/t5-/m0/s1
InChi Key :	InChIKey=MVXRRFIJBONYFV-YFKPBYRVSA-N
PubChem ID :

Rotatable bond count :	0	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.495100
Hydrogen bond donor count :	0	Electric dipole moment :	5.358
XLogP :	0.759	VDW volume :	112.283444
Molecular weight :	112.052429	HOMO-LUMO gap :	10.109000

Herb list :

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'

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