3-phenyl-2-Propenal

ScientificNameLabel

3-phenyl-2-Propenal
PHCD compound ID :	4125
Chemical Names :	3-phenyl-2-Propenal
Molecular Formula :	C9H8O1
Molecular Weight :	132.057515

More Details :

Names & Synonyms:	3-phenylprop-2-enal , 3-phenyl-2-propenal , 3-phenylacrolein
Smiles:	O=C/C=C/c1ccccc1
InChi :	InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
InChi Key :	InChIKey=KJPRLNWUNMBNBZ-QPJJXVBHSA-N
PubChem ID :	307

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.718753
Hydrogen bond donor count :	0	Electric dipole moment :	3.708
XLogP :	1.968	VDW volume :	136.571795
Molecular weight :	132.057515	HOMO-LUMO gap :	8.828000

Herb list :

Ziziphora - Ziziphora tenuior - کاکوتی

Refrences & Litretures:


575. Journal:'J. Chin. Chem. Soc' Year:'2013' Volume:'60' Page:'649' DOI:'10.1002/jccs.201300133' Title:'Improvement of GC-MS Analysis of Shahrbabak Ziziphora tenuior Essential Oil by Using Multivariate Curve Resolution Approaches'

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