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155775-31-8 molecular structure
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trinickel(2+) ion tetrahydroxide carbonate

ChemBase ID: 302756
Molecular Formular: CH4Ni3O7
Molecular Mass: 304.11846
Monoisotopic Mass: 301.80173117
SMILES and InChIs

SMILES:
C(=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[Ni+2].[Ni+2].[Ni+2]
Canonical SMILES:
[O-]C(=O)[O-].[OH-].[OH-].[OH-].[OH-].[Ni+2].[Ni+2].[Ni+2]
InChI:
InChI=1S/CH2O3.3Ni.4H2O/c2-1(3)4;;;;;;;/h(H2,2,3,4);;;;4*1H2/q;3*+2;;;;/p-6
InChIKey:
ATYNVYNPWGEMMI-UHFFFAOYSA-H

Cite this record

CBID:302756 http://www.chembase.cn/molecule-302756.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trinickel(2+) ion tetrahydroxide carbonate
IUPAC Traditional name
trinickel(2+) ion tetrahydroxide carbonate
Synonyms
Nickel(II) carbonate (basic) hydrate, Puratronic®
碳酸镍(II)水合物, Puratronic®
CAS Number
155775-31-8
EC Number
240-408-8
MDL Number
MFCD00016262

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 10814 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

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
RTECS
QR6260000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
UN3077 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
III expand Show data source
Risk Statements
49-61-20/22-38-42/43-48/23-68-50/53 expand Show data source
Safety Statements
53-45-60-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Hazard statements
H334-H350-H360-H372-H315-H317-H341-H400-H410-H302-H332 expand Show data source
GHS Precautionary statements
P273-P201-P309+P311-P501A expand Show data source
Purity
99.996% (metals basis) expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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