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38245-37-3 molecular structure
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disamarium(3+) ion hydrate tricarbonate

ChemBase ID: 137220
Molecular Formular: C3H2O10Sm2
Molecular Mass: 498.76198
Monoisotopic Mass: 501.80426026
SMILES and InChIs

SMILES:
C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].O.[Sm+3].[Sm+3]
Canonical SMILES:
[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].O.[Sm+3].[Sm+3]
InChI:
InChI=1S/3CH2O3.H2O.2Sm/c3*2-1(3)4;;;/h3*(H2,2,3,4);1H2;;/q;;;;2*+3/p-6
InChIKey:
UBJWOAORLTVVQC-UHFFFAOYSA-H

Cite this record

CBID:137220 http://www.chembase.cn/molecule-137220.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disamarium(3+) ion hydrate tricarbonate
IUPAC Traditional name
disamarium(3+) ion hydrate tricarbonate
Synonyms
Samarium(III) carbonate hydrate
碳酸钐(III) 水合物
CAS Number
38245-37-3
EC Number
227-581-5
MDL Number
MFCD00150444
PubChem SID
162231485
24870116
PubChem CID
16213073

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
463906 external link Add to cart Please log in.
Data Source Data ID
PubChem 16213073 external link

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)
Apperance
powder expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥99.99% trace metals basis expand Show data source
Linear Formula
Sm2(CO3)3 · xH2O expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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