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553-91-3 molecular structure
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dilithium(1+) ion oxalate

ChemBase ID: 130581
Molecular Formular: C2Li2O4
Molecular Mass: 101.901
Monoisotopic Mass: 102.01166758
SMILES and InChIs

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

Cite this record

CBID:130581 http://www.chembase.cn/molecule-130581.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dilithium(1+) ion oxalate
IUPAC Traditional name
dilithium(1+) ion oxalate
Synonyms
Oxalic acid dilithium salt
Lithium oxalate
乙二酸
草酸 二锂盐
草酸锂
CAS Number
553-91-3
EC Number
209-054-1
MDL Number
MFCD00040596
Merck Index
145537
PubChem SID
24897922
162224859
PubChem CID
68383

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 68383 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)
Solubility
Soluble in water expand Show data source
Apperance
Powder expand Show data source
Melting Point
dec. expand Show data source
Density
2.12 expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1759 expand Show data source
UN3288 expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
8 expand Show data source
Packing Group
2 expand Show data source
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 Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312 expand Show data source
GHS Precautionary statements
P280 expand Show data source
P280-P302+P352-P322-P301+P312-P312-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 1759 8/PG 2 expand Show data source
Purity
99+% expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - O0130 external link
包装
500 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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