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Aluminum;Diacetate
Also known as:
Molecular Formula
C4H6AlO4+
Molecular Weight
145.07  g/mol
InChI Key
XFSQFBDILRSSGP-UHFFFAOYSA-L

1 2D Structure

Aluminum;Diacetate

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 Weight 145.07 g/mol
Molecular Formula C4H6AlO4+
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass145.0081471 g/mol
Monoisotopic Mass145.0081471 g/mol
Topological Polar Surface Area80.3 Ų
Heavy Atom Count9
Formal Charge1
Complexity25.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
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