Oct-3-en-2-one

ScientificNameLabel

Oct-3-en-2-one
PHCD compound ID :	3273
Chemical Names :	Oct-3-en-2-one
Molecular Formula :	C8H14O1
Molecular Weight :	126.104465

More Details :

Names & Synonyms:	oct-3-en-2-one , 3-octen-2-one
Smiles:	CCCC/C=C/C(=O)C
InChi :	InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+
InChi Key :	InChIKey=ZCFOBLITZWHNNC-VOTSOKGWSA-N
PubChem ID :	15475

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	10.054037
Hydrogen bond donor count :	0	Electric dipole moment :	3.246
XLogP :	2.6	VDW volume :	150.441645
Molecular weight :	126.104465	HOMO-LUMO gap :	10.041000

Herb list :

Sumac - Rhus coriaria - سماق

Refrences & Litretures:


444. Journal:'FLAVOUR AND FRAGRANCE JOURNAL' Year:'1993' Volume:'8' Page:'209' DOI:'10.1002/ffj.2730080408' Title:'The Essential Oil of Rhus coriaria L. Fruits'

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