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636-13-5 molecular structure
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manganese(2+) ion dibenzoate tetrahydrate

ChemBase ID: 106949
Molecular Formular: C14H18MnO8
Molecular Mass: 369.225969
Monoisotopic Mass: 369.03821264
SMILES and InChIs

SMILES:
O.O.O.O.[Mn+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1
Canonical SMILES:
[O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1.O.O.O.O.[Mn+2]
InChI:
InChI=1S/2C7H6O2.Mn.4H2O/c2*8-7(9)6-4-2-1-3-5-6;;;;;/h2*1-5H,(H,8,9);;4*1H2/q;;+2;;;;/p-2
InChIKey:
YIHQSMBNBPAEJC-UHFFFAOYSA-L

Cite this record

CBID:106949 http://www.chembase.cn/molecule-106949.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
manganese(2+) ion dibenzoate tetrahydrate
IUPAC Traditional name
manganese(II) dibenzoate tetrahydrate
Synonyms
MANGANESE BENZOATE
CAS Number
636-13-5
EC Number
211-251-2
PubChem SID
162093028
PubChem CID
25021867

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05201997 external link Add to cart Please log in.
Data Source Data ID
PubChem 25021867 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.0752335  H Acceptors
H Donor LogD (pH = 5.5) 0.19342963 
LogD (pH = 7.4) -1.4835135  Log P 1.6308287 
Molar Refractivity 44.1513 cm3 Polarizability 12.569108 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
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MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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