Hafnium Acetylacetonate

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CAS Number

17475-67-1

Synonyms

Hafnium; (Z) -4-hydroxypent-3-en-2-one

MDL Number

MFCD00044997

Purity

97%

Smiles

C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.[Hf]

Chemical Information

hafnium(IV) acetylacetonate

CAS Number	17475-67-1
PubChem CID	11330624
IUPAC Name	hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)
Molecular Formula	C20H32HfO8
Molecular Weight	578.9
Topological Polar Surface Area	149
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	529

SMILES

C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.[Hf]

InChI

InChI=1S/4C5H8O2.Hf/c4*1-4(6)3-5(2)7;/h4*3,6H,1-2H3;/b4*4-3-;

InChIKey

XFRUSXFSJAEXPU-MTOQALJVSA-N

Chemical Structure

2D Structure

CAS: 17475-67-1

CID: 11330624

Formula: C20H32HfO8

MW: 578.9

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	578.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	580.15628
Monoisotopic Mass	580.15628
Topological Polar Surface Area	149 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	529
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	5
Compound Is Canonicalized	Yes