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14284-92-5 molecular structure
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rhodium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)

ChemBase ID: 302732
Molecular Formular: C15H21O6Rh
Molecular Mass: 400.22914
Monoisotopic Mass: 400.03931739
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-].[Rh+3]
Canonical SMILES:
[O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[Rh+3]
InChI:
InChI=1S/3C5H8O2.Rh/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;
InChIKey:
DGOINFUDFBWCMX-LNTINUHCSA-K

Cite this record

CBID:302732 http://www.chembase.cn/molecule-302732.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
rhodium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)
IUPAC Traditional name
rhodium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)
Synonyms
Rhodium(III) acetylacetonate
Rhodium(III) 2,4-pentanedionate, Premion®
乙酰丙酮铑(III) Premion®
CAS Number
14284-92-5
EC Number
238-192-5
MDL Number
MFCD00083144

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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)
Solubility
Very soluble in chloroform. Soluble in alcohol expand Show data source
Apperance
Crystalline expand Show data source
Melting Point
263-264°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
99.99% (metals basis), Rh 25.2% min expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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