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533-01-7 molecular structure
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copper(2+) ion dibenzoate

ChemBase ID: 126689
Molecular Formular: C14H10CuO4
Molecular Mass: 305.7728
Monoisotopic Mass: 304.9875063
SMILES and InChIs

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

Cite this record

CBID:126689 http://www.chembase.cn/molecule-126689.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
copper(2+) ion dibenzoate
IUPAC Traditional name
copper(2+) ion dibenzoate
Synonyms
cupric benzoate
Copper benzoate
CAS Number
533-01-7
PubChem SID
162221019
PubChem CID
164650
Chemspider ID
144339
Wikipedia Title
Copper_benzoate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

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

Physical Property Safety Information Bioassay(PubChem)
Apperance
blue solid expand Show data source
Boiling Point
249.3°C @760mmHg expand Show data source
Flash Point
111.4°C expand Show data source
Density
1.197g/cm3 expand Show data source
Safety Statements
R expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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