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6018-94-6 molecular structure
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1,3-dioxa-2-nickelacyclopentane-4,5-dione dihydrate

ChemBase ID: 147237
Molecular Formular: C2H4NiO6
Molecular Mass: 182.74296
Monoisotopic Mass: 181.93613075
SMILES and InChIs

SMILES:
C1(=O)C(=O)O[Ni]O1.O.O
Canonical SMILES:
O=C1O[Ni]OC1=O.O.O
InChI:
InChI=1S/C2H2O4.Ni.2H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;2*1H2/q;+2;;/p-2
InChIKey:
VNYOIRCILMCTHO-UHFFFAOYSA-L

Cite this record

CBID:147237 http://www.chembase.cn/molecule-147237.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-dioxa-2-nickelacyclopentane-4,5-dione dihydrate
IUPAC Traditional name
dihydrate nickel oxalate
Synonyms
Nickel(II) oxalate dihydrate
草酸镍(II) 二水合物
CAS Number
6018-94-6
MDL Number
MFCD00167155
PubChem SID
162241428
24870097
PubChem CID
53393668

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
463787 external link Add to cart Please log in.
Data Source Data ID
PubChem 53393668 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6314  LogD (pH = 7.4) 0.6314 
Log P 0.6314  Molar Refractivity 12.5834 cm3
Polarizability 9.047407 Å3 Polar Surface Area 52.6 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
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22 expand Show data source
Safety Statements
7-9-36 expand Show data source
Purity
99.999% trace metals basis expand Show data source
Linear Formula
NiC2O4 · 2H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 463787 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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