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12741-05-8 molecular structure
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yttrium(3+) ion hexahydrate trichloride

ChemBase ID: 302790
Molecular Formular: Cl3O6Y
Molecular Mass: 291.26125
Monoisotopic Mass: 289.78189376
SMILES and InChIs

SMILES:
O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Y+3]
Canonical SMILES:
O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Y+3]
InChI:
InChI=1S/3ClH.6H2O.Y/h3*1H;6*1H2;/q;;;;;;;;;+3/p-3
InChIKey:
IINACGXCEZNYTF-UHFFFAOYSA-K

Cite this record

CBID:302790 http://www.chembase.cn/molecule-302790.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
yttrium(3+) ion hexahydrate trichloride
IUPAC Traditional name
yttrium(3+) ion hexahydrate trichloride
Synonyms
Yttrium(III) chloride hydrate, REacton®
水合氯化钇(III), REacton®
CAS Number
12741-05-8
EC Number
233-801-0
MDL Number
MFCD00149941
Merck Index
1410107

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 11184 external link Add to cart 11185 external link Add to cart
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.7  H Acceptors
H Donor LogD (pH = 5.5) -0.652 
LogD (pH = 7.4) -0.652  Log P -0.652 
Molar Refractivity 3.7 cm3 Polarizability 1.4714895 Å3
Polar Surface Area 25.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Crystalline Aggregates expand Show data source
Wet Crystalline Aggregates expand Show data source
Density
2.18 expand Show data source
Storage Warning
Hygroscopic expand Show data source
TSCA Listed
expand Show data source
Purity
99.9% (REO) expand Show data source
99.99% (REO) expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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