Neodymium trifluoroacetylacetonate

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Catalog Number
ACM37473679-1
Product Name
Neodymium trifluoroacetylacetonate
Structure
Structure
CAS
37473-67-9
Category
Heterocyclic Organic Compound
Synonyms
Tris-(1,1,1-trifluoro-2,4-pentanedionato-O,O'')-neodymium
IUPAC Name
Neodymium;(Z)-1,1,1-trifluoro-4-hydroxypent-3-en-2-one
Molecular Weight
606.5
Molecular Formula
C15H15F9NdO6
Canonical SMILES
CC(=CC(=O)C(F)(F)F)O.CC(=CC(=O)C(F)(F)F)O.CC(=CC(=O)C(F)(F)F)O.[Nd]
InChI
InChI=1S/3C5H5F3O2.Nd/c3*1-3(9)2-4(10)5(6,7)8;/h3*2,9H,1H3;/b3*3-2-;
InChI Key
QAFZOVUCJWQXJN-IQMQLBNYSA-N
Boiling Point
195.6ºC at 760 mmHg
Melting Point
140 °C
Flash Point
72.1ºC
Appearance
Bluish-pink crystal
Complexity
606
Covalently-Bonded Unit Count
4
Defined Atom Stereocenter Count
0
Exact Mass
603.98022
Hazard Statements
Xi
H-Bond Acceptor
5
H-Bond Donor
0
Heavy Atom Count
31
Hydrogen Bond Acceptor Count
15
Hydrogen Bond Donor Count
3
Isomeric SMILES
C/C(=C/C(=O)C(F)(F)F)/O.C/C(=C/C(=O)C(F)(F)F)/O.C/C(=C/C(=O)C(F)(F)F)/O.[Nd]
Monoisotopic Mass
603.98022
Rotatable Bond Count
3
Topological Polar Surface Area
112 Ų
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