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23301-82-8 molecular structure
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samarium(3+) ion 1,1,1-trifluoro-4-oxopent-2-en-2-olate

ChemBase ID: 98933
Molecular Formular: C5H4F3O2Sm++
Molecular Mass: 303.4392696
Monoisotopic Mass: 304.93607103
SMILES and InChIs

SMILES:
[O-]/C(=C\C(=O)C)/C(F)(F)F.[Sm+3]
Canonical SMILES:
[O-]/C(=C\C(=O)C)/C(F)(F)F.[Sm+3]
InChI:
InChI=1S/C5H5F3O2.Sm/c1-3(9)2-4(10)5(6,7)8;/h2,10H,1H3;/q;+3/p-1
InChIKey:
OPHLAYIFMBUCKH-UHFFFAOYSA-M

Cite this record

CBID:98933 http://www.chembase.cn/molecule-98933.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
samarium(3+) ion 1,1,1-trifluoro-4-oxopent-2-en-2-olate
IUPAC Traditional name
samarium(3+) ion 1,1,1-trifluoro-4-oxopent-2-en-2-olate
Synonyms
Samarium trifluoroacetylacetonate 98%
CAS Number
23301-82-8
MDL Number
MFCD00058837
PubChem SID
162085259
PubChem CID
15242750

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC6343D external link Add to cart Please log in.
Data Source Data ID
PubChem 15242750 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7207158  H Acceptors
H Donor LogD (pH = 5.5) -0.8360045 
LogD (pH = 7.4) -2.3542204  Log P 0.942788 
Molar Refractivity 39.8911 cm3 Polarizability 9.87203 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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