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166897-40-1 molecular structure
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bis(dioxo-1,3-dioxa-2-ferracyclopentan-2-yl) oxalate hexahydrate

ChemBase ID: 150312
Molecular Formular: C6H12Fe2O18
Molecular Mass: 483.83868
Monoisotopic Mass: 483.87223854
SMILES and InChIs

SMILES:
C1(=O)C(=O)O[Fe](O1)OC(=O)C(=O)O[Fe]1OC(=O)C(=O)O1.O.O.O.O.O.O
Canonical SMILES:
O=C(C(=O)O[Fe]1OC(=O)C(=O)O1)O[Fe]1OC(=O)C(=O)O1.O.O.O.O.O.O
InChI:
InChI=1S/3C2H2O4.2Fe.6H2O/c3*3-1(4)2(5)6;;;;;;;;/h3*(H,3,4)(H,5,6);;;6*1H2/q;;;2*+3;;;;;;/p-6
InChIKey:
FWXIZVVTJVNNRX-UHFFFAOYSA-H

Cite this record

CBID:150312 http://www.chembase.cn/molecule-150312.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(dioxo-1,3-dioxa-2-ferracyclopentan-2-yl) oxalate hexahydrate
IUPAC Traditional name
bis(dioxo-1,3-dioxa-2-ferracyclopentan-2-yl) oxalate hexahydrate
Synonyms
Ferric oxalate hexahydrate
Iron(III) oxalate hexahydrate
草酸铁(III) 六水合物
CAS Number
166897-40-1
EC Number
220-951-7
MDL Number
MFCD00151243
PubChem SID
24863816
162244473
PubChem CID
71311460

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
381446 external link Add to cart Please log in.
Data Source Data ID
PubChem 71311460 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 4.9442  LogD (pH = 7.4) 4.9442 
Log P 4.9442  Molar Refractivity 37.7502 cm3
Polarizability 23.3787 Å3 Polar Surface Area 157.8 Å2

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
powder and chunks 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
21/22 expand Show data source
Safety Statements
24/25 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312 expand Show data source
GHS Precautionary statements
P280 expand Show data source
Linear Formula
Fe2(C2O4)3 · 6H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 381446 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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