bis(2-oxidobenzoate);titanium(4+)

C14H8O6Ti — CID 109374232

IUPACbis(2-oxidobenzoate);titanium(4+)
SMILESO=C([O-])c1ccccc1[O-].O=C([O-])c1ccccc1[O-].[Ti+4]
InChIInChI=1S/2C7H6O3.Ti/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+4/p-4
InChIKeyOYCUCVYCOQBTLP-UHFFFAOYSA-J
MW320.08 g/mol
LogP-1.76
Rot. Bonds2

About bis(2-oxidobenzoate);titanium(4+)

bis(2-oxidobenzoate);titanium(4+) (PubChem CID 109374232) has the molecular formula C14H8O6Ti and a molecular weight of 320.08 g/mol. Its IUPAC name is bis(2-oxidobenzoate);titanium(4+).

Molecular Properties

Compound Namebis(2-oxidobenzoate);titanium(4+)
PubChem CID109374232
Molecular FormulaC14H8O6Ti
Molecular Weight320.08 g/mol
Exact Mass319.98
IUPAC Namebis(2-oxidobenzoate);titanium(4+)
SMILESO=C([O-])c1ccccc1[O-].O=C([O-])c1ccccc1[O-].[Ti+4]
InChIInChI=1S/2C7H6O3.Ti/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+4/p-4
InChIKeyOYCUCVYCOQBTLP-UHFFFAOYSA-J
XLogP-1.76
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.08
LogP ≤ 5-1.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Salicylic Acid
CID 338
Methyl Salicylate
CID 4133
Benzyl Salicylate
CID 8363
Sodium Salicylate
CID 16760658
Salicylate
CID 54675850
3-Methylsalicylic Acid
CID 6738
Fosfosal
CID 3418
2'-Hydroxychalcone
CID 638276
Methyl 2-Methoxybenzoate
CID 61151
Bismuth Subsalicylate
CID 53629521
Phenethyl salicylate
CID 62332
Aurintricarboxylic Acid
CID 2259

Frequently Asked Questions

What is the IUPAC name of bis(2-oxidobenzoate);titanium(4+)?
The IUPAC name of bis(2-oxidobenzoate);titanium(4+) (CID 109374232) is bis(2-oxidobenzoate);titanium(4+).
What is the SMILES notation for bis(2-oxidobenzoate);titanium(4+)?
The canonical SMILES for bis(2-oxidobenzoate);titanium(4+) is O=C([O-])c1ccccc1[O-].O=C([O-])c1ccccc1[O-].[Ti+4].
What is the InChIKey of bis(2-oxidobenzoate);titanium(4+)?
The InChIKey is OYCUCVYCOQBTLP-UHFFFAOYSA-J. The full InChI is InChI=1S/2C7H6O3.Ti/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+4/p-4.
What are the key properties of bis(2-oxidobenzoate);titanium(4+)?
bis(2-oxidobenzoate);titanium(4+) has a molecular weight of 320.08 g/mol, XLogP of -1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-oxidobenzoate);titanium(4+) is sourced from PubChem (CID 109374232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).