Isophthalaldehyde

ScientificNameLabel

Isophthalaldehyde
PHCD compound ID :	4600
Chemical Names :	Isophthalaldehyde
Molecular Formula :	C8H6O2
Molecular Weight :	134.036779

More Details :

Names & Synonyms:	benzene-1,3-dicarbaldehyde , benzene-1,3-dicarboxaldehyde , isophthalaldehyde
Smiles:	O=Cc1cccc(c1)C=O
InChi :	InChI=1S/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6H
InChi Key :	InChIKey=IZALUMVGBVKPJD-UHFFFAOYSA-N
PubChem ID :	34777

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.482890
Hydrogen bond donor count :	0	Electric dipole moment :	1.279
XLogP :	0.255	VDW volume :	128.066037
Molecular weight :	134.036779	HOMO-LUMO gap :	9.402000

Herb list :

Clove - Syzygium aromaticum - میخک، میخک صدپر

Refrences & Litretures:


711. Journal:'Food Chemistry' Year:'2001' Volume:'74' Page:'443' DOI:'' Title:'Antioxidant property of aroma extract isolated from clove buds [Syzygium aromaticum (L.) Merr. et Perry]'

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