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12034-36-5 molecular structure
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disodium oxotitaniumbis(olate)

ChemBase ID: 109270
Molecular Formular: Na2O3Ti
Molecular Mass: 141.84474
Monoisotopic Mass: 141.91222872
SMILES and InChIs

SMILES:
[Na+].[Na+].[O-][Ti](=O)[O-]
Canonical SMILES:
[O-][Ti](=O)[O-].[Na+].[Na+]
InChI:
InChI=1S/2Na.3O.Ti/q2*+1;;2*-1;
InChIKey:
BNEFROLMFDVOEA-UHFFFAOYSA-N

Cite this record

CBID:109270 http://www.chembase.cn/molecule-109270.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disodium oxotitaniumbis(olate)
IUPAC Traditional name
dipotassium oxotitaniumbis(olate)
Synonyms
SODIUM TITANATE
CAS Number
12034-36-5
PubChem SID
162096238
PubChem CID
19604706

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05210399 external link Add to cart Please log in.
Data Source Data ID
PubChem 19604706 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)
European Hazard Symbols
Flammable Flammable (F) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:17 expand Show data source
Safety Statements
S:16 expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05210399 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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