1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

aluminum;diacetate

2.1.2 InChI

InChI=1S/2C2H4O2.Al/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+3/p-2

2.1.3 InChI Key

XFSQFBDILRSSGP-UHFFFAOYSA-L

2.1.4 Canonical SMILES

CC(=O)[O-].CC(=O)[O-].[Al+3]

2.2 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₄H₆AlO₄+
Molecular Weight	145.07 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	145.0081471 g/mol
Monoisotopic Mass	145.0081471 g/mol
Topological Polar Surface Area	80.3 Å²
Heavy Atom Count	9
Formal Charge	1
Complexity	25.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

Aluminum;Diacetate