bis(oxygen(2-));phthalic acid;titanium(4+)

C8H6O6Ti — CID 161084506

IUPACbis(oxygen(2-));phthalic acid;titanium(4+)
SMILESO=C(O)c1ccccc1C(=O)O.[O-2].[O-2].[Ti+4]
InChIInChI=1S/C8H6O4.2O.Ti/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;/h1-4H,(H,9,10)(H,11,12);;;/q;2*-2;+4
InChIKeyUGIDJGJAGMRMHP-UHFFFAOYSA-N
MW246.00 g/mol
LogP0.84
Rot. Bonds2

About bis(oxygen(2-));phthalic acid;titanium(4+)

bis(oxygen(2-));phthalic acid;titanium(4+) (PubChem CID 161084506) has the molecular formula C8H6O6Ti and a molecular weight of 246.00 g/mol. Its IUPAC name is bis(oxygen(2-));phthalic acid;titanium(4+).

Molecular Properties

Compound Namebis(oxygen(2-));phthalic acid;titanium(4+)
PubChem CID161084506
Molecular FormulaC8H6O6Ti
Molecular Weight246.00 g/mol
Exact Mass245.96
IUPAC Namebis(oxygen(2-));phthalic acid;titanium(4+)
SMILESO=C(O)c1ccccc1C(=O)O.[O-2].[O-2].[Ti+4]
InChIInChI=1S/C8H6O4.2O.Ti/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;/h1-4H,(H,9,10)(H,11,12);;;/q;2*-2;+4
InChIKeyUGIDJGJAGMRMHP-UHFFFAOYSA-N
XLogP0.84
TPSA131.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.00
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(oxygen(2-));phthalic acid;titanium(4+)?
The IUPAC name of bis(oxygen(2-));phthalic acid;titanium(4+) (CID 161084506) is bis(oxygen(2-));phthalic acid;titanium(4+).
What is the SMILES notation for bis(oxygen(2-));phthalic acid;titanium(4+)?
The canonical SMILES for bis(oxygen(2-));phthalic acid;titanium(4+) is O=C(O)c1ccccc1C(=O)O.[O-2].[O-2].[Ti+4].
What is the InChIKey of bis(oxygen(2-));phthalic acid;titanium(4+)?
The InChIKey is UGIDJGJAGMRMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.2O.Ti/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;/h1-4H,(H,9,10)(H,11,12);;;/q;2*-2;+4.
What are the key properties of bis(oxygen(2-));phthalic acid;titanium(4+)?
bis(oxygen(2-));phthalic acid;titanium(4+) has a molecular weight of 246.00 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxygen(2-));phthalic acid;titanium(4+) is sourced from PubChem (CID 161084506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).