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12019-08-8 molecular structure
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copper(2+) ion oxotitaniumbis(olate)

ChemBase ID: 111698
Molecular Formular: CuO3Ti
Molecular Mass: 159.4112
Monoisotopic Mass: 158.86228766
SMILES and InChIs

SMILES:
[Cu+2].[O-][Ti](=O)[O-]
Canonical SMILES:
[O-][Ti](=O)[O-].[Cu+2]
InChI:
InChI=1S/Cu.3O.Ti/q+2;;2*-1;
InChIKey:
SJHFEDLCGQLKAM-UHFFFAOYSA-N

Cite this record

CBID:111698 http://www.chembase.cn/molecule-111698.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
copper(2+) ion oxotitaniumbis(olate)
IUPAC Traditional name
copper(2+) oxotitaniumbis(olate)
Synonyms
COPPER TITANATE
CAS Number
12019-08-8
PubChem SID
162096844
PubChem CID
25021455

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05220444 external link Add to cart Please log in.
Data Source Data ID
PubChem 25021455 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.013199  H Acceptors
H Donor LogD (pH = 5.5) -1.4238 
LogD (pH = 7.4) -1.4238011  Log P -1.4238 
Molar Refractivity 4.3287 cm3 Polarizability 5.2817564 Å3
Polar Surface Area 63.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05220444 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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