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14589-44-7 molecular structure
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thulium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)

ChemBase ID: 302956
Molecular Formular: C15H21O6Tm
Molecular Mass: 466.25785
Monoisotopic Mass: 466.06802639
SMILES and InChIs

SMILES:
C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Tm+3]
Canonical SMILES:
[O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[Tm+3]
InChI:
InChI=1S/3C5H8O2.Tm/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;
InChIKey:
ASFMKHGVRGERPB-LNTINUHCSA-K

Cite this record

CBID:302956 http://www.chembase.cn/molecule-302956.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
thulium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)
IUPAC Traditional name
thulium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)
Synonyms
Thulium(III) acetylacetonate
Thulium(III) 2,4-pentanedionate, REacton®
乙酰丙酮铥(III), Reacton®
CAS Number
14589-44-7
MDL Number
MFCD00058840

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.890059  H Acceptors
H Donor LogD (pH = 5.5) 0.34448203 
LogD (pH = 7.4) 0.34309724  Log P 0.3444997 
Molar Refractivity 39.1896 cm3 Polarizability 10.113493 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Powder expand Show data source
TSCA Listed
expand Show data source
Purity
99.9% (REO) expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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