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16283-36-6 molecular structure
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zinc(2+) ion bis(2-hydroxybenzoate) trihydrate

ChemBase ID: 111590
Molecular Formular: C14H16O9Zn
Molecular Mass: 393.65144
Monoisotopic Mass: 392.00857409
SMILES and InChIs

SMILES:
O.O.O.[Zn+2].Oc1ccccc1C(=O)[O-].Oc1ccccc1C(=O)[O-]
Canonical SMILES:
[O-]C(=O)c1ccccc1O.[O-]C(=O)c1ccccc1O.O.O.O.[Zn+2]
InChI:
InChI=1S/2C7H6O3.3H2O.Zn/c2*8-6-4-2-1-3-5(6)7(9)10;;;;/h2*1-4,8H,(H,9,10);3*1H2;/q;;;;;+2/p-2
InChIKey:
VIVYBCKORJTEEV-UHFFFAOYSA-L

Cite this record

CBID:111590 http://www.chembase.cn/molecule-111590.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
zinc(2+) ion bis(2-hydroxybenzoate) trihydrate
IUPAC Traditional name
zinc, ion (zn2+) trihydrate bis(o-hydroxybenzoate)
Synonyms
ZINC SALICYLATE
CAS Number
16283-36-6
PubChem SID
162097093
PubChem CID
54741753

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05219964 external link Add to cart Please log in.
Data Source Data ID
PubChem 54741753 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.7897391  H Acceptors
H Donor LogD (pH = 5.5) -0.6725287 
LogD (pH = 7.4) -1.5175761  Log P 1.9772635 
Molar Refractivity 46.1322 cm3 Polarizability 13.208861 Å3
Polar Surface Area 60.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:15-17-58 expand Show data source
Safety Statements
S:7/8-61 expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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