benzene-1,2,3,4-tetracarboxylic acid;titanium

C10H6O8Ti — CID 162026487

IUPACbenzene-1,2,3,4-tetracarboxylic acid;titanium
SMILESO=C(O)c1ccc(C(=O)O)c(C(=O)O)c1C(=O)O.[Ti]
InChIInChI=1S/C10H6O8.Ti/c11-7(12)3-1-2-4(8(13)14)6(10(17)18)5(3)9(15)16;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);
InChIKeyYVLCKFXSGPTRNP-UHFFFAOYSA-N
MW302.02 g/mol
LogP0.48
Rot. Bonds4

About benzene-1,2,3,4-tetracarboxylic acid;titanium

benzene-1,2,3,4-tetracarboxylic acid;titanium (PubChem CID 162026487) has the molecular formula C10H6O8Ti and a molecular weight of 302.02 g/mol. Its IUPAC name is benzene-1,2,3,4-tetracarboxylic acid;titanium.

Molecular Properties

Compound Namebenzene-1,2,3,4-tetracarboxylic acid;titanium
PubChem CID162026487
Molecular FormulaC10H6O8Ti
Molecular Weight302.02 g/mol
Exact Mass301.95
IUPAC Namebenzene-1,2,3,4-tetracarboxylic acid;titanium
SMILESO=C(O)c1ccc(C(=O)O)c(C(=O)O)c1C(=O)O.[Ti]
InChIInChI=1S/C10H6O8.Ti/c11-7(12)3-1-2-4(8(13)14)6(10(17)18)5(3)9(15)16;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);
InChIKeyYVLCKFXSGPTRNP-UHFFFAOYSA-N
XLogP0.48
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.02
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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4-sulfobenzene-1,2,3-tricarboxylic acid
CID 19039262
3,4-dibenzoylphthalic acid
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barium(2+);benzene-1,2,3-tricarboxylic acid;hydride
CID 174613618
potassium;benzene-1,2,3-tricarboxylic acid;hydride
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benzene-1,2,3,4-tetracarboxylic acid;tetrakis(2-(methylamino)ethanol)
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Frequently Asked Questions

What is the IUPAC name of benzene-1,2,3,4-tetracarboxylic acid;titanium?
The IUPAC name of benzene-1,2,3,4-tetracarboxylic acid;titanium (CID 162026487) is benzene-1,2,3,4-tetracarboxylic acid;titanium.
What is the SMILES notation for benzene-1,2,3,4-tetracarboxylic acid;titanium?
The canonical SMILES for benzene-1,2,3,4-tetracarboxylic acid;titanium is O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1C(=O)O.[Ti].
What is the InChIKey of benzene-1,2,3,4-tetracarboxylic acid;titanium?
The InChIKey is YVLCKFXSGPTRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O8.Ti/c11-7(12)3-1-2-4(8(13)14)6(10(17)18)5(3)9(15)16;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);.
What are the key properties of benzene-1,2,3,4-tetracarboxylic acid;titanium?
benzene-1,2,3,4-tetracarboxylic acid;titanium has a molecular weight of 302.02 g/mol, XLogP of 0.48, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,3,4-tetracarboxylic acid;titanium is sourced from PubChem (CID 162026487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).