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4452-61-3 molecular structure
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gallium(3+) ion tris(propan-2-olate)

ChemBase ID: 303250
Molecular Formular: C9H24GaO3
Molecular Mass: 250.00806
Monoisotopic Mass: 249.09811763
SMILES and InChIs

SMILES:
CC(C)[O-].CC(C)[O-].CC(C)[O-].[GaH3+3]
Canonical SMILES:
[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[GaH3+3]
InChI:
InChI=1S/3C3H7O.Ga/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
InChIKey:
RLVZHWWAGSWRBR-UHFFFAOYSA-N

Cite this record

CBID:303250 http://www.chembase.cn/molecule-303250.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
gallium(3+) ion tris(propan-2-olate)
IUPAC Traditional name
gallium(3+) ion tris(propan-2-olate)
Synonyms
Gallium(III) isopropoxide, mixture of oligomers
异丙醇镓(III), 低聚物的混合体
CAS Number
4452-61-3
MDL Number
MFCD00144389

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar 36583 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.262587  H Acceptors
H Donor LogD (pH = 5.5) 0.2548059 
LogD (pH = 7.4) 0.25480592  Log P 0.25480592 
Molar Refractivity 27.979 cm3 Polarizability 6.5838666 Å3
Polar Surface Area 23.06 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Melting Point
72°C expand Show data source
Boiling Point
dec. expand Show data source
Flash Point
68°C(154°F) expand Show data source
Density
1.35 expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
UN1993 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
III expand Show data source
Risk Statements
10-36/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Hazard statements
H226-H315-H319 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338-P337+P313 expand Show data source
Purity
99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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