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54451-24-0 molecular structure
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dilanthanum(3+) ion tricarbonate

ChemBase ID: 128016
Molecular Formular: C3La2O9
Molecular Mass: 457.8377
Monoisotopic Mass: 457.76693758
SMILES and InChIs

SMILES:
[La+3].[La+3].O=C([O-])[O-].[O-]C(=O)[O-].[O-]C(=O)[O-]
Canonical SMILES:
[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].[La+3].[La+3]
InChI:
InChI=1S/3CH2O3.2La/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6
InChIKey:
NZPIUJUFIFZSPW-UHFFFAOYSA-H

Cite this record

CBID:128016 http://www.chembase.cn/molecule-128016.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dilanthanum(3+) ion tricarbonate
IUPAC Traditional name
dilanthanum(3+) ion tricarbonate
Synonyms
Lanthanum(III) carbonate hydrate
Lanthanum carbonate
水合碳酸镧(III)
CAS Number
54451-24-0
EC Number
209-599-5
MDL Number
MFCD00011069
Merck Index
145364
PubChem SID
162222332
PubChem CID
168924
ATC CODE
V03AE03
CHEMBL
1201031
Chemspider ID
147758
Wikipedia Title
Lanthanum_carbonate

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.0525417  H Acceptors
H Donor LogD (pH = 5.5) 0.142811 
LogD (pH = 7.4) -1.1138874  Log P 0.25005138 
Molar Refractivity 31.1724 cm3 Polarizability 3.6386902 Å3
Polar Surface Area 63.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
negligible in water expand Show data source
soluble in acids expand Show data source
Apperance
Powder expand Show data source
White powder, hygroscopic expand Show data source
Melting Point
decomposes expand Show data source
Density
2.6-2.7 expand Show data source
2.6–2.7 g/cm3 expand Show data source
Storage Warning
Hygroscopic 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
99.9% (REO) expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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