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10580-03-7 molecular structure
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titanium(4+) ion diammonium trioxalate

ChemBase ID: 112469
Molecular Formular: C6H8N2O12Ti
Molecular Mass: 348.00092
Monoisotopic Mass: 347.95567001
SMILES and InChIs

SMILES:
[NH4+].[NH4+].[Ti+4].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-]
Canonical SMILES:
[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[NH4+].[NH4+].[Ti+4]
InChI:
InChI=1S/3C2H2O4.2H3N.Ti/c3*3-1(4)2(5)6;;;/h3*(H,3,4)(H,5,6);2*1H3;/q;;;;;+4/p-4
InChIKey:
DDDMZPWEAOSVIF-UHFFFAOYSA-J

Cite this record

CBID:112469 http://www.chembase.cn/molecule-112469.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
titanium(4+) ion diammonium trioxalate
IUPAC Traditional name
titanium(4+) ion diammonium trioxalate ion
Synonyms
TITANIUM AMMONIUM OXALATE
CAS Number
10580-03-7
PubChem SID
162098217
PubChem CID
25022221

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05224173 external link Add to cart Please log in.
Data Source Data ID
PubChem 25022221 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.3639908  H Acceptors
H Donor LogD (pH = 5.5) -5.101814 
LogD (pH = 7.4) -6.8848467  Log P -0.26375157 
Molar Refractivity 36.1128 cm3 Polarizability 5.6277657 Å3
Polar Surface Area 80.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Purity
99.99% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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