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15049-67-9 molecular structure
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bismuth(3+) ion tris(propan-2-olate)

ChemBase ID: 303744
Molecular Formular: C9H21BiO3
Molecular Mass: 386.24164
Monoisotopic Mass: 386.12946753
SMILES and InChIs

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

Cite this record

CBID:303744 http://www.chembase.cn/molecule-303744.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bismuth(3+) ion tris(propan-2-olate)
IUPAC Traditional name
bismuth(3+) ion tris(propan-2-olate)
Synonyms
Bismuth(III) isopropoxide
异丙醇铋(III)
CAS Number
15049-67-9
MDL Number
MFCD00799065

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 43938 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 Bioassay(PubChem)
Apperance
Powder, Packaged under argon expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
UN3181 expand Show data source
Hazard Class
4.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
11-36/37/38 expand Show data source
Safety Statements
16-26-37 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
H228-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P280G-P305+P351+P338-P337+P313 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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