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20338-08-3 molecular structure
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titaniumtetrol

ChemBase ID: 129923
Molecular Formular: H4O4Ti
Molecular Mass: 115.89636
Monoisotopic Mass: 115.95890491
SMILES and InChIs

SMILES:
O[Ti](O)(O)O
Canonical SMILES:
O[Ti](O)(O)O
InChI:
InChI=1S/4H2O.Ti/h4*1H2;/q;;;;+4/p-4
InChIKey:
LLZRNZOLAXHGLL-UHFFFAOYSA-J

Cite this record

CBID:129923 http://www.chembase.cn/molecule-129923.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
titaniumtetrol
IUPAC Traditional name
titanic acid
Synonyms
Titanic acid
CAS Number
20338-08-3
EC Number
243-744-3
PubChem SID
162224209
PubChem CID
11400745
88494
Chemspider ID
15640680
MeSH Name
titanium+hydroxide
Wikipedia Title
Titanic_acid

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.1448007  LogD (pH = 7.4) -2.1448 
Log P -2.1448  Molar Refractivity 10.2584 cm3
Polarizability 7.25078 Å3 Polar Surface Area 80.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
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DETAILS

DETAILS

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REFERENCES

REFERENCES

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PATENTS

PATENTS

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