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38245-36-2 molecular structure
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digadolinium(3+) ion hydrate tricarbonate

ChemBase ID: 150393
Molecular Formular: C3H2Gd2O10
Molecular Mass: 512.54198
Monoisotopic Mass: 513.81300226
SMILES and InChIs

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

Cite this record

CBID:150393 http://www.chembase.cn/molecule-150393.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
digadolinium(3+) ion hydrate tricarbonate
IUPAC Traditional name
digadolinium(3+) ion hydrate tricarbonate
Synonyms
Gadolinium(III) carbonate hydrate
碳酸钆(III) 水合物
CAS Number
38245-36-2
EC Number
227-583-6
MDL Number
MFCD00150240
PubChem SID
162244554
24868604
PubChem CID
16212943

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
451126 external link Add to cart Please log in.
Data Source Data ID
PubChem 16212943 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 false 

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
26-36 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
99.9% trace metals basis expand Show data source
Linear Formula
Gd2(CO3)3 · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 451126 external link
Packaging
10 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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