acetylacetonate ion | SSHADE

Molecule

Name: acetylacetonate ion

Name and identifiers

IUPAC name: (Z)-4-oxopent-2-en-2-olate
Secondary names: acetyl acetonate anion, C2H7O2
InChI: InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3,6H,1-2H3/p-1/b4-3-
InChI key: POILWHVDKZOXJZ-ARJAWSKDSA-M
CAS number: 17272-66-1

Structure and atomic composition

Formula: $(CH_3COCHCOCH_3)^-$
Chemical formula: CH3COCHCOCH3-
Structural formula: [CH3]C(=O)[CH]=C([CH3])[O-]
Charge: -1
Unpaired electrons: 0

	Atom	Name	Number
	$C$	Carbon	5
	$H$	Hydrogen	7
	$O$	Oxygen	2

Isotopic composition

Isotope mixture type: terrestrial abundance

Molar mass: 99.108 $g/mol$
State STP: solid
Protic: aprotic
Polarity: ionic

Fundamental vibration modes

Molecule symmetry: C1
Case: nonlinear-polyatomic

Chemical functions and bonds

Chemical functions

	Function	Number
	$R-CH_3$	2
	$R-C(=O)-R$	1
	$R=CH-R$	1

Chemical bonds

	Bond	Number
	$\geq C-H$	6
	$\eqslantgtr C-H$	1
	$\eqslantgtr C-C\leq$	3
	$>C=C<$	1
	$>C=O$	1
	$\eqslantgtr C-O^-$	1

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