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100634-91-1 molecular structure
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gadoliniumtriol hydrate

ChemBase ID: 148560
Molecular Formular: GdH5O4
Molecular Mass: 226.2873
Monoisotopic Mass: 226.94288664
SMILES and InChIs

SMILES:
O.O[Gd](O)O
Canonical SMILES:
O[Gd](O)O.O
InChI:
InChI=1S/Gd.4H2O/h;4*1H2/q+3;;;;/p-3
InChIKey:
XPLNUMUBAPCAEW-UHFFFAOYSA-K

Cite this record

CBID:148560 http://www.chembase.cn/molecule-148560.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
gadoliniumtriol hydrate
IUPAC Traditional name
gadoliniumtriol hydrate
Synonyms
Gadolinium(III) hydroxide hydrate
氢氧化钆(III) 水合物
CAS Number
100634-91-1
EC Number
240-516-5
MDL Number
MFCD00269821
PubChem SID
162242735
24873870
PubChem CID
16213753

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
516198 external link Add to cart Please log in.
Data Source Data ID
PubChem 16213753 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.556353  H Acceptors
H Donor LogD (pH = 5.5) -1.6086001 
LogD (pH = 7.4) -1.6086  Log P -1.6086 
Molar Refractivity 7.6938 cm3 Polarizability 9.837696 Å3
Polar Surface Area 60.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
powder and chunks expand Show data source
Melting Point
>350 °C(lit.) 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
Gd(OH)3 · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 516198 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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