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4255-07-6 molecular structure
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zinc(2+) ion oxalate

ChemBase ID: 112791
Molecular Formular: C2O4Zn
Molecular Mass: 153.399
Monoisotopic Mass: 151.90880048
SMILES and InChIs

SMILES:
[Zn+2].[O-]C(=O)C(=O)[O-]
Canonical SMILES:
[O-]C(=O)C(=O)[O-].[Zn+2]
InChI:
InChI=1S/C2H2O4.Zn/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
InChIKey:
ZPEJZWGMHAKWNL-UHFFFAOYSA-L

Cite this record

CBID:112791 http://www.chembase.cn/molecule-112791.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
zinc(2+) ion oxalate
IUPAC Traditional name
zinc, ion (zn2+) oxalate ion
zinc(2+) ion oxalate
Synonyms
ZINC OXALATE
Zinc oxalate dihydrate, Puratronic®
二水合草酸锌, Puratronic®
CAS Number
4255-07-6
EC Number
208-934-2
MDL Number
MFCD00150611
Merck Index
1410146
PubChem SID
162106783
PubChem CID
11041

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11041 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.3639908  H Acceptors
H Donor LogD (pH = 5.5) -5.101814 
LogD (pH = 7.4) -6.8848467  Log P -0.26375157 
Molar Refractivity 36.1128 cm3 Polarizability 5.6277657 Å3
Polar Surface Area 80.26 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
Density
3.28 expand Show data source
European Hazard Symbols
X expand Show data source
UN Number
UN3288 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
21/22 expand Show data source
Safety Statements
24/25 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H302-H312 expand Show data source
GHS Precautionary statements
P280-P302+P352-P322-P301+P312-P312-P501A expand Show data source
Purity
99.999% (metals basis) expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05225840 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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