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3251-96-5 molecular structure
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manganese(2+) ion diformate

ChemBase ID: 295555
Molecular Formular: C2H2MnO4
Molecular Mass: 144.972929
Monoisotopic Mass: 144.93335364
SMILES and InChIs

SMILES:
C(=O)[O-].C(=O)[O-].[Mn+2]
Canonical SMILES:
[O-]C=O.[O-]C=O.[Mn+2]
InChI:
InChI=1S/2CH2O2.Mn/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2
InChIKey:
BHVPEUGTPDJECS-UHFFFAOYSA-L

Cite this record

CBID:295555 http://www.chembase.cn/molecule-295555.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
manganese(2+) ion diformate
IUPAC Traditional name
manganese(2+) ion diformate
Synonyms
Manganese(II) formate dihydrate
二水甲酸锰(II)
CAS Number
3251-96-5
EC Number
221-842-7
MDL Number
MFCD00050832
PubChem SID
180681086
PubChem CID
12598453

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Alfa Aesar
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Data Source Data ID
PubChem 12598453 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.269118  H Acceptors
H Donor LogD (pH = 5.5) -1.5255477 
LogD (pH = 7.4) -3.257304  Log P -0.27204442 
Molar Refractivity 18.9903 cm3 Polarizability 3.1383486 Å3
Polar Surface Area 40.13 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
Density
1.95 expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
22 expand Show data source
Safety Statements
36 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301 expand Show data source
GHS Precautionary statements
P264-P270-P301+P310-P321-P405-P501A expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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